HEADER    TOXIN                                   04-APR-01   1IDI              
TITLE     THE NMR SOLUTION STRUCTURE OF ALPHA-BUNGAROTOXIN                      
CAVEAT     1IDI    THERE ARE SEVERAL CHIRALITY ERRORS IN CHAIN A.               
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ALPHA-BUNGAROTOXIN;                                        
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: LONG NEUROTOXIN 1                                           
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: BUNGARUS MULTICINCTUS;                          
SOURCE   3 ORGANISM_COMMON: MANY-BANDED KRAIT;                                  
SOURCE   4 ORGANISM_TAXID: 8616;                                                
SOURCE   5 OTHER_DETAILS: PURCHASED FROM SIGMA                                  
KEYWDS    ALPHA-BUNGAROTOXIN, ALPHA-NEUROTOXIN, NMR SOLUTION STRUCTURE, TOXIN   
EXPDTA    SOLUTION NMR                                                          
AUTHOR    H.ZENG,L.MOISE,M.A.GRANT,E.HAWROT                                     
REVDAT   5   23-FEB-22 1IDI    1       REMARK                                   
REVDAT   4   24-FEB-09 1IDI    1       VERSN                                    
REVDAT   3   01-APR-03 1IDI    1       JRNL                                     
REVDAT   2   27-JUN-01 1IDI    1       JRNL                                     
REVDAT   1   25-APR-01 1IDI    0                                                
JRNL        AUTH   H.ZENG,L.MOISE,M.A.GRANT,E.HAWROT                            
JRNL        TITL   THE SOLUTION STRUCTURE OF THE COMPLEX FORMED BETWEEN         
JRNL        TITL 2 ALPHA-BUNGAROTOXIN AND AN 18-MER COGNATE PEPTIDE DERIVED     
JRNL        TITL 3 FROM THE ALPHA 1 SUBUNIT OF THE NICOTINIC ACETYLCHOLINE      
JRNL        TITL 4 RECEPTOR FROM TORPEDO CALIFORNICA.                           
JRNL        REF    J.BIOL.CHEM.                  V. 276 22930 2001              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   11312275                                                     
JRNL        DOI    10.1074/JBC.M102300200                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : XWINNMR 2.1, CNSSOLVE 1.0                            
REMARK   3   AUTHORS     : BRUKER (XWINNMR), BRUNGER, A.T. ET AL. (CNSSOLVE)    
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1IDI COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-APR-01.                  
REMARK 100 THE DEPOSITION ID IS D_1000013182.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 308                                
REMARK 210  PH                             : 4.0                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 2.0 MM FREE ALPHA-BUNGAROTOXIN,    
REMARK 210                                   50 MM PERDEUTERATED POTASSIUM      
REMARK 210                                   ACETATE BUFFER (PH 4.0) WITH 5%    
REMARK 210                                   D2O AND 0.05% SODIUM AZIDE         
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D_TOCSY; 2D_NOESY                 
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRPIPE 1.8, SPARKY 3.95           
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY AND SIMULATED    
REMARK 210                                   ANNEALING                          
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 1                                  
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : NULL                               
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: THE CHIRALITY ERROR IS IN THR 8 CB, OG1; LYS 38 CA, CB;      
REMARK 210  GLU 55 CA, HA. THERE IS NO CHIRALITY ERROR IF MOLMOL IS USED TO     
REMARK 210  VIEW THE STRUCTURE.                                                 
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    HIS A   4   CG    HIS A   4   CD2     0.055                       
REMARK 500    HIS A  68   CG    HIS A  68   CD2     0.059                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    HIS A   4   ND1 -  CE1 -  NE2 ANGL. DEV. =   8.1 DEGREES          
REMARK 500    ARG A  25   NE  -  CZ  -  NH1 ANGL. DEV. =   3.9 DEGREES          
REMARK 500    ARG A  36   NE  -  CZ  -  NH1 ANGL. DEV. =   3.5 DEGREES          
REMARK 500    TYR A  54   CB  -  CG  -  CD2 ANGL. DEV. =  -3.7 DEGREES          
REMARK 500    PRO A  67   CA  -  C   -  N   ANGL. DEV. =  17.6 DEGREES          
REMARK 500    PRO A  67   O   -  C   -  N   ANGL. DEV. = -11.5 DEGREES          
REMARK 500    HIS A  68   ND1 -  CE1 -  NE2 ANGL. DEV. =   8.1 DEGREES          
REMARK 500    ARG A  72   NE  -  CZ  -  NH1 ANGL. DEV. =   4.1 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    VAL A   2     -142.31   -136.65                                   
REMARK 500    CYS A   3     -103.82    -77.55                                   
REMARK 500    THR A   5      -99.23    -89.47                                   
REMARK 500    THR A   6       71.85     97.45                                   
REMARK 500    ALA A   7      -57.26     63.78                                   
REMARK 500    THR A   8     -105.00   -106.99                                   
REMARK 500    SER A   9      -60.40   -129.97                                   
REMARK 500    ILE A  11     -176.46    -63.48                                   
REMARK 500    ALA A  13     -102.49   -144.44                                   
REMARK 500    THR A  15      -69.26   -142.20                                   
REMARK 500    PRO A  17     -167.99    -63.74                                   
REMARK 500    ASN A  21      -78.05     33.90                                   
REMARK 500    LEU A  22     -101.37     74.54                                   
REMARK 500    MET A  27     -134.26    -62.88                                   
REMARK 500    TRP A  28     -157.85     77.87                                   
REMARK 500    CYS A  29      -47.63   -167.56                                   
REMARK 500    ASP A  30     -100.28     72.62                                   
REMARK 500    CYS A  33      -84.24   -127.00                                   
REMARK 500    LYS A  38       49.48    142.34                                   
REMARK 500    VAL A  39      141.18    123.07                                   
REMARK 500    VAL A  40      117.11     51.20                                   
REMARK 500    GLU A  41     -117.72    -97.07                                   
REMARK 500    LEU A  42      161.16    172.21                                   
REMARK 500    ALA A  45      -66.69   -145.95                                   
REMARK 500    THR A  47      -43.78   -140.05                                   
REMARK 500    CYS A  48       88.61     62.40                                   
REMARK 500    SER A  50     -110.61   -104.58                                   
REMARK 500    LYS A  51       94.10     59.87                                   
REMARK 500    LYS A  52      -78.73   -146.91                                   
REMARK 500    GLU A  55     -170.33    159.93                                   
REMARK 500    CYS A  59      114.82    -27.33                                   
REMARK 500    ASP A  63      107.71    -44.39                                   
REMARK 500    LYS A  64      -65.40     76.17                                   
REMARK 500    CYS A  65      -75.30     67.50                                   
REMARK 500    ASN A  66      153.73     91.38                                   
REMARK 500    PRO A  67      -86.88    -80.20                                   
REMARK 500    HIS A  68       37.93     73.69                                   
REMARK 500    LYS A  70      117.08     57.29                                   
REMARK 500    GLN A  71      -94.81   -127.04                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 MET A   27     TRP A   28                  148.86                    
REMARK 500 TRP A   28     CYS A   29                 -146.09                    
REMARK 500 LYS A   38     VAL A   39                 -102.60                    
REMARK 500 VAL A   40     GLU A   41                  146.72                    
REMARK 500 SER A   50     LYS A   51                  144.49                    
REMARK 500 TYR A   54     GLU A   55                   30.61                    
REMARK 500 VAL A   57     THR A   58                 -137.23                    
REMARK 500 THR A   58     CYS A   59                  137.22                    
REMARK 500 CYS A   65     ASN A   66                  144.50                    
REMARK 500 HIS A   68     PRO A   69                  120.17                    
REMARK 500 PRO A   69     LYS A   70                  148.88                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1IDG   RELATED DB: PDB                                   
REMARK 900 1IDG IS THE AVERAGE STRUCTURE OF THE COMPLEX BETWEEN ALPHA-          
REMARK 900 BUNGAROTOXIN AND AN 18MER COGNATE PEPTIDE                            
REMARK 900 RELATED ID: 1IDH   RELATED DB: PDB                                   
REMARK 900 1IDH IS THE 20 ENSEMBLE STRUCTURES OF THE COMPLEX BETWEEN ALPHA-     
REMARK 900 BUNGAROTOXIN AND AN 18MER COGNATE PEPTIDE                            
REMARK 900 RELATED ID: 1IDL   RELATED DB: PDB                                   
REMARK 900 1IDL IS THE 20 ENSEMBLE STRUCTURES OF ALPHA-BUNGAROTOXIN             
DBREF  1IDI A    1    74  UNP    P60615   NXL1A_BUNMU      1     74             
SEQRES   1 A   74  ILE VAL CYS HIS THR THR ALA THR SER PRO ILE SER ALA          
SEQRES   2 A   74  VAL THR CYS PRO PRO GLY GLU ASN LEU CYS TYR ARG LYS          
SEQRES   3 A   74  MET TRP CYS ASP ALA PHE CYS SER SER ARG GLY LYS VAL          
SEQRES   4 A   74  VAL GLU LEU GLY CYS ALA ALA THR CYS PRO SER LYS LYS          
SEQRES   5 A   74  PRO TYR GLU GLU VAL THR CYS CYS SER THR ASP LYS CYS          
SEQRES   6 A   74  ASN PRO HIS PRO LYS GLN ARG PRO GLY                          
SSBOND   1 CYS A    3    CYS A   23                          1555   1555  1.99  
SSBOND   2 CYS A   16    CYS A   44                          1555   1555  2.01  
SSBOND   3 CYS A   29    CYS A   33                          1555   1555  2.00  
SSBOND   4 CYS A   48    CYS A   59                          1555   1555  2.00  
SSBOND   5 CYS A   60    CYS A   65                          1555   1555  2.00  
CISPEP   1 GLY A   37    LYS A   38          0         1.78                     
CISPEP   2 PRO A   67    HIS A   68          0        -5.93                     
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
ATOM      1  N   ILE A   1      -2.128  13.303  -2.730  1.00  0.00           N  
ATOM      2  CA  ILE A   1      -0.814  12.624  -2.621  1.00  0.00           C  
ATOM      3  C   ILE A   1      -0.560  12.173  -1.143  1.00  0.00           C  
ATOM      4  O   ILE A   1       0.394  12.615  -0.496  1.00  0.00           O  
ATOM      5  CB  ILE A   1       0.310  13.470  -3.332  1.00  0.00           C  
ATOM      6  CG1 ILE A   1       1.654  12.738  -3.705  1.00  0.00           C  
ATOM      7  CG2 ILE A   1       0.583  14.859  -2.693  1.00  0.00           C  
ATOM      8  CD1 ILE A   1       1.896  11.285  -3.248  1.00  0.00           C  
ATOM      9  H1  ILE A   1      -2.864  12.759  -2.268  1.00  0.00           H  
ATOM     10  H2  ILE A   1      -2.152  14.253  -2.347  1.00  0.00           H  
ATOM     11  H3  ILE A   1      -2.406  13.353  -3.716  1.00  0.00           H  
ATOM     12  HA  ILE A   1      -0.944  11.717  -3.243  1.00  0.00           H  
ATOM     13  HB  ILE A   1      -0.125  13.735  -4.316  1.00  0.00           H  
ATOM     14 HG12 ILE A   1       1.744  12.748  -4.808  1.00  0.00           H  
ATOM     15 HG13 ILE A   1       2.541  13.326  -3.390  1.00  0.00           H  
ATOM     16 HG21 ILE A   1      -0.317  15.504  -2.649  1.00  0.00           H  
ATOM     17 HG22 ILE A   1       0.971  14.778  -1.665  1.00  0.00           H  
ATOM     18 HG23 ILE A   1       1.336  15.427  -3.269  1.00  0.00           H  
ATOM     19 HD11 ILE A   1       1.173  10.561  -3.679  1.00  0.00           H  
ATOM     20 HD12 ILE A   1       1.864  11.185  -2.146  1.00  0.00           H  
ATOM     21 HD13 ILE A   1       2.904  10.961  -3.552  1.00  0.00           H  
ATOM     22  N   VAL A   2      -1.413  11.276  -0.601  1.00  0.00           N  
ATOM     23  CA  VAL A   2      -1.404  10.920   0.853  1.00  0.00           C  
ATOM     24  C   VAL A   2      -1.549   9.366   1.024  1.00  0.00           C  
ATOM     25  O   VAL A   2      -0.959   8.604   0.250  1.00  0.00           O  
ATOM     26  CB  VAL A   2      -2.392  11.840   1.676  1.00  0.00           C  
ATOM     27  CG1 VAL A   2      -2.007  13.339   1.656  1.00  0.00           C  
ATOM     28  CG2 VAL A   2      -3.891  11.692   1.341  1.00  0.00           C  
ATOM     29  H   VAL A   2      -2.124  10.921  -1.249  1.00  0.00           H  
ATOM     30  HA  VAL A   2      -0.387  11.118   1.254  1.00  0.00           H  
ATOM     31  HB  VAL A   2      -2.316  11.510   2.728  1.00  0.00           H  
ATOM     32 HG11 VAL A   2      -0.956  13.487   1.946  1.00  0.00           H  
ATOM     33 HG12 VAL A   2      -2.596  13.922   2.383  1.00  0.00           H  
ATOM     34 HG13 VAL A   2      -2.138  13.807   0.659  1.00  0.00           H  
ATOM     35 HG21 VAL A   2      -4.239  10.645   1.418  1.00  0.00           H  
ATOM     36 HG22 VAL A   2      -4.117  12.041   0.320  1.00  0.00           H  
ATOM     37 HG23 VAL A   2      -4.519  12.277   2.037  1.00  0.00           H  
ATOM     38  N   CYS A   3      -2.294   8.892   2.050  1.00  0.00           N  
ATOM     39  CA  CYS A   3      -2.554   7.454   2.311  1.00  0.00           C  
ATOM     40  C   CYS A   3      -3.643   6.896   1.343  1.00  0.00           C  
ATOM     41  O   CYS A   3      -3.333   6.665   0.168  1.00  0.00           O  
ATOM     42  CB  CYS A   3      -2.844   7.300   3.826  1.00  0.00           C  
ATOM     43  SG  CYS A   3      -1.468   7.909   4.808  1.00  0.00           S  
ATOM     44  H   CYS A   3      -2.672   9.619   2.669  1.00  0.00           H  
ATOM     45  HA  CYS A   3      -1.634   6.866   2.127  1.00  0.00           H  
ATOM     46  HB2 CYS A   3      -3.767   7.825   4.129  1.00  0.00           H  
ATOM     47  HB3 CYS A   3      -3.000   6.232   4.075  1.00  0.00           H  
ATOM     48  N   HIS A   4      -4.895   6.691   1.809  1.00  0.00           N  
ATOM     49  CA  HIS A   4      -5.977   6.099   0.986  1.00  0.00           C  
ATOM     50  C   HIS A   4      -6.705   7.211   0.182  1.00  0.00           C  
ATOM     51  O   HIS A   4      -7.388   8.072   0.749  1.00  0.00           O  
ATOM     52  CB  HIS A   4      -7.012   5.319   1.838  1.00  0.00           C  
ATOM     53  CG  HIS A   4      -6.557   3.992   2.462  1.00  0.00           C  
ATOM     54  ND1 HIS A   4      -5.718   3.876   3.565  1.00  0.00           N  
ATOM     55  CD2 HIS A   4      -7.149   2.746   2.177  1.00  0.00           C  
ATOM     56  CE1 HIS A   4      -5.912   2.553   3.873  1.00  0.00           C  
ATOM     57  NE2 HIS A   4      -6.729   1.786   3.083  1.00  0.00           N  
ATOM     58  H   HIS A   4      -5.029   6.912   2.803  1.00  0.00           H  
ATOM     59  HA  HIS A   4      -5.525   5.352   0.303  1.00  0.00           H  
ATOM     60  HB2 HIS A   4      -7.427   5.975   2.625  1.00  0.00           H  
ATOM     61  HB3 HIS A   4      -7.877   5.096   1.184  1.00  0.00           H  
ATOM     62  HD1 HIS A   4      -5.274   4.618   4.117  1.00  0.00           H  
ATOM     63  HD2 HIS A   4      -7.909   2.590   1.421  1.00  0.00           H  
ATOM     64  HE1 HIS A   4      -5.526   2.149   4.798  1.00  0.00           H  
ATOM     65  HE2 HIS A   4      -7.112   0.848   3.247  1.00  0.00           H  
ATOM     66  N   THR A   5      -6.577   7.127  -1.149  1.00  0.00           N  
ATOM     67  CA  THR A   5      -7.397   7.906  -2.112  1.00  0.00           C  
ATOM     68  C   THR A   5      -8.680   7.088  -2.454  1.00  0.00           C  
ATOM     69  O   THR A   5      -9.615   7.140  -1.656  1.00  0.00           O  
ATOM     70  CB  THR A   5      -6.464   8.395  -3.261  1.00  0.00           C  
ATOM     71  OG1 THR A   5      -5.597   9.405  -2.748  1.00  0.00           O  
ATOM     72  CG2 THR A   5      -7.124   8.919  -4.553  1.00  0.00           C  
ATOM     73  H   THR A   5      -5.896   6.425  -1.462  1.00  0.00           H  
ATOM     74  HA  THR A   5      -7.760   8.822  -1.614  1.00  0.00           H  
ATOM     75  HB  THR A   5      -5.846   7.546  -3.585  1.00  0.00           H  
ATOM     76  HG1 THR A   5      -5.121   8.994  -2.026  1.00  0.00           H  
ATOM     77 HG21 THR A   5      -8.222   8.949  -4.493  1.00  0.00           H  
ATOM     78 HG22 THR A   5      -6.881   8.279  -5.422  1.00  0.00           H  
ATOM     79 HG23 THR A   5      -6.810   9.931  -4.829  1.00  0.00           H  
ATOM     80  N   THR A   6      -8.728   6.371  -3.599  1.00  0.00           N  
ATOM     81  CA  THR A   6      -9.971   5.908  -4.292  1.00  0.00           C  
ATOM     82  C   THR A   6     -10.311   6.918  -5.442  1.00  0.00           C  
ATOM     83  O   THR A   6     -11.310   7.634  -5.335  1.00  0.00           O  
ATOM     84  CB  THR A   6     -11.199   5.506  -3.402  1.00  0.00           C  
ATOM     85  OG1 THR A   6     -10.798   4.531  -2.444  1.00  0.00           O  
ATOM     86  CG2 THR A   6     -12.440   4.970  -4.128  1.00  0.00           C  
ATOM     87  H   THR A   6      -7.831   6.371  -4.104  1.00  0.00           H  
ATOM     88  HA  THR A   6      -9.669   4.954  -4.772  1.00  0.00           H  
ATOM     89  HB  THR A   6     -11.571   6.401  -2.867  1.00  0.00           H  
ATOM     90  HG1 THR A   6     -10.238   4.990  -1.815  1.00  0.00           H  
ATOM     91 HG21 THR A   6     -12.262   4.013  -4.639  1.00  0.00           H  
ATOM     92 HG22 THR A   6     -13.258   4.814  -3.411  1.00  0.00           H  
ATOM     93 HG23 THR A   6     -12.828   5.688  -4.871  1.00  0.00           H  
ATOM     94  N   ALA A   7      -9.517   6.918  -6.541  1.00  0.00           N  
ATOM     95  CA  ALA A   7      -9.916   7.398  -7.901  1.00  0.00           C  
ATOM     96  C   ALA A   7     -10.291   8.890  -8.183  1.00  0.00           C  
ATOM     97  O   ALA A   7      -9.737   9.486  -9.113  1.00  0.00           O  
ATOM     98  CB  ALA A   7     -10.931   6.427  -8.548  1.00  0.00           C  
ATOM     99  H   ALA A   7      -8.705   6.297  -6.449  1.00  0.00           H  
ATOM    100  HA  ALA A   7      -8.989   7.240  -8.489  1.00  0.00           H  
ATOM    101  HB1 ALA A   7     -10.601   5.375  -8.474  1.00  0.00           H  
ATOM    102  HB2 ALA A   7     -11.932   6.483  -8.082  1.00  0.00           H  
ATOM    103  HB3 ALA A   7     -11.061   6.652  -9.622  1.00  0.00           H  
ATOM    104  N   THR A   8     -11.294   9.435  -7.469  1.00  0.00           N  
ATOM    105  CA  THR A   8     -12.108  10.601  -7.911  1.00  0.00           C  
ATOM    106  C   THR A   8     -11.743  11.895  -7.110  1.00  0.00           C  
ATOM    107  O   THR A   8     -10.725  12.504  -7.455  1.00  0.00           O  
ATOM    108  CB  THR A   8     -13.606  10.150  -7.992  1.00  0.00           C  
ATOM    109  OG1 THR A   8     -14.085   9.705  -6.724  1.00  0.00           O  
ATOM    110  CG2 THR A   8     -14.575  11.214  -8.545  1.00  0.00           C  
ATOM    111  H   THR A   8     -11.626   8.836  -6.705  1.00  0.00           H  
ATOM    112  HA  THR A   8     -11.850  10.844  -8.959  1.00  0.00           H  
ATOM    113  HB  THR A   8     -13.653   9.288  -8.678  1.00  0.00           H  
ATOM    114  HG1 THR A   8     -13.538   8.949  -6.491  1.00  0.00           H  
ATOM    115 HG21 THR A   8     -14.925  11.878  -7.736  1.00  0.00           H  
ATOM    116 HG22 THR A   8     -15.484  10.766  -8.990  1.00  0.00           H  
ATOM    117 HG23 THR A   8     -14.094  11.851  -9.314  1.00  0.00           H  
ATOM    118  N   SER A   9     -12.564  12.383  -6.136  1.00  0.00           N  
ATOM    119  CA  SER A   9     -12.615  13.839  -5.786  1.00  0.00           C  
ATOM    120  C   SER A   9     -12.487  14.233  -4.267  1.00  0.00           C  
ATOM    121  O   SER A   9     -11.549  14.992  -3.995  1.00  0.00           O  
ATOM    122  CB  SER A   9     -13.845  14.511  -6.457  1.00  0.00           C  
ATOM    123  OG  SER A   9     -13.604  15.898  -6.661  1.00  0.00           O  
ATOM    124  H   SER A   9     -13.311  11.744  -5.837  1.00  0.00           H  
ATOM    125  HA  SER A   9     -11.737  14.313  -6.271  1.00  0.00           H  
ATOM    126  HB2 SER A   9     -14.074  14.056  -7.437  1.00  0.00           H  
ATOM    127  HB3 SER A   9     -14.765  14.391  -5.856  1.00  0.00           H  
ATOM    128  HG  SER A   9     -14.332  16.217  -7.202  1.00  0.00           H  
ATOM    129  N   PRO A  10     -13.345  13.841  -3.265  1.00  0.00           N  
ATOM    130  CA  PRO A  10     -13.201  14.265  -1.822  1.00  0.00           C  
ATOM    131  C   PRO A  10     -11.828  13.976  -1.121  1.00  0.00           C  
ATOM    132  O   PRO A  10     -11.249  14.794  -0.402  1.00  0.00           O  
ATOM    133  CB  PRO A  10     -14.338  13.499  -1.093  1.00  0.00           C  
ATOM    134  CG  PRO A  10     -15.230  12.904  -2.182  1.00  0.00           C  
ATOM    135  CD  PRO A  10     -14.343  12.769  -3.420  1.00  0.00           C  
ATOM    136  HA  PRO A  10     -13.414  15.350  -1.759  1.00  0.00           H  
ATOM    137  HB2 PRO A  10     -13.955  12.659  -0.478  1.00  0.00           H  
ATOM    138  HB3 PRO A  10     -14.906  14.144  -0.397  1.00  0.00           H  
ATOM    139  HG2 PRO A  10     -15.663  11.931  -1.883  1.00  0.00           H  
ATOM    140  HG3 PRO A  10     -16.073  13.591  -2.382  1.00  0.00           H  
ATOM    141  HD2 PRO A  10     -13.833  11.785  -3.440  1.00  0.00           H  
ATOM    142  HD3 PRO A  10     -14.944  12.846  -4.340  1.00  0.00           H  
ATOM    143  N   ILE A  11     -11.372  12.751  -1.405  1.00  0.00           N  
ATOM    144  CA  ILE A  11     -10.072  12.151  -1.045  1.00  0.00           C  
ATOM    145  C   ILE A  11      -8.847  12.888  -1.694  1.00  0.00           C  
ATOM    146  O   ILE A  11      -9.003  13.937  -2.331  1.00  0.00           O  
ATOM    147  CB  ILE A  11     -10.243  10.626  -1.429  1.00  0.00           C  
ATOM    148  CG1 ILE A  11     -10.702  10.257  -2.890  1.00  0.00           C  
ATOM    149  CG2 ILE A  11     -11.143   9.872  -0.410  1.00  0.00           C  
ATOM    150  CD1 ILE A  11      -9.981  10.979  -4.044  1.00  0.00           C  
ATOM    151  H   ILE A  11     -11.985  12.249  -2.055  1.00  0.00           H  
ATOM    152  HA  ILE A  11      -9.942  12.223   0.054  1.00  0.00           H  
ATOM    153  HB  ILE A  11      -9.251  10.180  -1.291  1.00  0.00           H  
ATOM    154 HG12 ILE A  11     -10.595   9.170  -3.041  1.00  0.00           H  
ATOM    155 HG13 ILE A  11     -11.789  10.421  -3.009  1.00  0.00           H  
ATOM    156 HG21 ILE A  11     -10.689   9.856   0.599  1.00  0.00           H  
ATOM    157 HG22 ILE A  11     -11.308   8.816  -0.695  1.00  0.00           H  
ATOM    158 HG23 ILE A  11     -12.147  10.331  -0.317  1.00  0.00           H  
ATOM    159 HD11 ILE A  11     -10.074  10.414  -4.989  1.00  0.00           H  
ATOM    160 HD12 ILE A  11     -10.396  11.991  -4.219  1.00  0.00           H  
ATOM    161 HD13 ILE A  11      -8.899  11.102  -3.847  1.00  0.00           H  
ATOM    162  N   SER A  12      -7.617  12.370  -1.484  1.00  0.00           N  
ATOM    163  CA  SER A  12      -6.341  13.091  -1.802  1.00  0.00           C  
ATOM    164  C   SER A  12      -6.168  14.392  -0.948  1.00  0.00           C  
ATOM    165  O   SER A  12      -6.114  15.505  -1.485  1.00  0.00           O  
ATOM    166  CB  SER A  12      -6.142  13.344  -3.320  1.00  0.00           C  
ATOM    167  OG  SER A  12      -6.194  12.144  -4.076  1.00  0.00           O  
ATOM    168  H   SER A  12      -7.612  11.469  -0.992  1.00  0.00           H  
ATOM    169  HA  SER A  12      -5.525  12.404  -1.513  1.00  0.00           H  
ATOM    170  HB2 SER A  12      -6.899  14.050  -3.708  1.00  0.00           H  
ATOM    171  HB3 SER A  12      -5.156  13.815  -3.490  1.00  0.00           H  
ATOM    172  HG  SER A  12      -7.126  11.950  -4.200  1.00  0.00           H  
ATOM    173  N   ALA A  13      -6.163  14.247   0.392  1.00  0.00           N  
ATOM    174  CA  ALA A  13      -6.489  15.369   1.311  1.00  0.00           C  
ATOM    175  C   ALA A  13      -5.617  15.274   2.591  1.00  0.00           C  
ATOM    176  O   ALA A  13      -4.450  15.673   2.530  1.00  0.00           O  
ATOM    177  CB  ALA A  13      -8.027  15.444   1.489  1.00  0.00           C  
ATOM    178  H   ALA A  13      -6.189  13.272   0.710  1.00  0.00           H  
ATOM    179  HA  ALA A  13      -6.202  16.331   0.845  1.00  0.00           H  
ATOM    180  HB1 ALA A  13      -8.559  15.507   0.518  1.00  0.00           H  
ATOM    181  HB2 ALA A  13      -8.315  16.338   2.069  1.00  0.00           H  
ATOM    182  HB3 ALA A  13      -8.424  14.558   2.018  1.00  0.00           H  
ATOM    183  N   VAL A  14      -6.156  14.799   3.734  1.00  0.00           N  
ATOM    184  CA  VAL A  14      -5.476  14.899   5.063  1.00  0.00           C  
ATOM    185  C   VAL A  14      -5.524  13.486   5.722  1.00  0.00           C  
ATOM    186  O   VAL A  14      -6.604  12.953   6.000  1.00  0.00           O  
ATOM    187  CB  VAL A  14      -6.113  16.005   5.985  1.00  0.00           C  
ATOM    188  CG1 VAL A  14      -5.332  16.193   7.308  1.00  0.00           C  
ATOM    189  CG2 VAL A  14      -6.251  17.394   5.318  1.00  0.00           C  
ATOM    190  H   VAL A  14      -7.144  14.539   3.652  1.00  0.00           H  
ATOM    191  HA  VAL A  14      -4.414  15.192   4.917  1.00  0.00           H  
ATOM    192  HB  VAL A  14      -7.138  15.690   6.258  1.00  0.00           H  
ATOM    193 HG11 VAL A  14      -5.264  15.249   7.880  1.00  0.00           H  
ATOM    194 HG12 VAL A  14      -4.296  16.541   7.132  1.00  0.00           H  
ATOM    195 HG13 VAL A  14      -5.826  16.921   7.980  1.00  0.00           H  
ATOM    196 HG21 VAL A  14      -6.661  18.154   6.009  1.00  0.00           H  
ATOM    197 HG22 VAL A  14      -5.282  17.767   4.936  1.00  0.00           H  
ATOM    198 HG23 VAL A  14      -6.947  17.354   4.460  1.00  0.00           H  
ATOM    199  N   THR A  15      -4.336  12.926   6.017  1.00  0.00           N  
ATOM    200  CA  THR A  15      -4.180  11.681   6.830  1.00  0.00           C  
ATOM    201  C   THR A  15      -2.919  11.830   7.740  1.00  0.00           C  
ATOM    202  O   THR A  15      -3.079  11.933   8.960  1.00  0.00           O  
ATOM    203  CB  THR A  15      -4.201  10.341   6.019  1.00  0.00           C  
ATOM    204  OG1 THR A  15      -3.447  10.457   4.818  1.00  0.00           O  
ATOM    205  CG2 THR A  15      -5.604   9.814   5.666  1.00  0.00           C  
ATOM    206  H   THR A  15      -3.527  13.513   5.790  1.00  0.00           H  
ATOM    207  HA  THR A  15      -5.029  11.627   7.539  1.00  0.00           H  
ATOM    208  HB  THR A  15      -3.726   9.550   6.629  1.00  0.00           H  
ATOM    209  HG1 THR A  15      -3.932  11.075   4.266  1.00  0.00           H  
ATOM    210 HG21 THR A  15      -5.554   8.872   5.088  1.00  0.00           H  
ATOM    211 HG22 THR A  15      -6.180  10.533   5.056  1.00  0.00           H  
ATOM    212 HG23 THR A  15      -6.198   9.598   6.575  1.00  0.00           H  
ATOM    213  N   CYS A  16      -1.692  11.833   7.170  1.00  0.00           N  
ATOM    214  CA  CYS A  16      -0.416  11.985   7.935  1.00  0.00           C  
ATOM    215  C   CYS A  16       0.357  13.307   7.520  1.00  0.00           C  
ATOM    216  O   CYS A  16      -0.214  14.107   6.768  1.00  0.00           O  
ATOM    217  CB  CYS A  16       0.359  10.634   7.804  1.00  0.00           C  
ATOM    218  SG  CYS A  16       0.502   9.850   9.432  1.00  0.00           S  
ATOM    219  H   CYS A  16      -1.695  11.782   6.146  1.00  0.00           H  
ATOM    220  HA  CYS A  16      -0.640  12.116   9.011  1.00  0.00           H  
ATOM    221  HB2 CYS A  16      -0.116   9.905   7.117  1.00  0.00           H  
ATOM    222  HB3 CYS A  16       1.374  10.780   7.394  1.00  0.00           H  
ATOM    223  N   PRO A  17       1.615  13.625   7.980  1.00  0.00           N  
ATOM    224  CA  PRO A  17       2.327  14.910   7.646  1.00  0.00           C  
ATOM    225  C   PRO A  17       2.695  15.169   6.127  1.00  0.00           C  
ATOM    226  O   PRO A  17       2.158  14.448   5.287  1.00  0.00           O  
ATOM    227  CB  PRO A  17       3.543  14.845   8.601  1.00  0.00           C  
ATOM    228  CG  PRO A  17       3.165  13.901   9.735  1.00  0.00           C  
ATOM    229  CD  PRO A  17       2.296  12.862   9.046  1.00  0.00           C  
ATOM    230  HA  PRO A  17       1.678  15.745   7.970  1.00  0.00           H  
ATOM    231  HB2 PRO A  17       4.437  14.450   8.079  1.00  0.00           H  
ATOM    232  HB3 PRO A  17       3.814  15.840   8.999  1.00  0.00           H  
ATOM    233  HG2 PRO A  17       4.046  13.453  10.228  1.00  0.00           H  
ATOM    234  HG3 PRO A  17       2.585  14.437  10.511  1.00  0.00           H  
ATOM    235  HD2 PRO A  17       2.917  12.062   8.601  1.00  0.00           H  
ATOM    236  HD3 PRO A  17       1.604  12.394   9.771  1.00  0.00           H  
ATOM    237  N   PRO A  18       3.536  16.154   5.674  1.00  0.00           N  
ATOM    238  CA  PRO A  18       3.765  16.421   4.221  1.00  0.00           C  
ATOM    239  C   PRO A  18       4.896  15.562   3.565  1.00  0.00           C  
ATOM    240  O   PRO A  18       5.817  15.093   4.243  1.00  0.00           O  
ATOM    241  CB  PRO A  18       4.084  17.928   4.229  1.00  0.00           C  
ATOM    242  CG  PRO A  18       4.778  18.185   5.566  1.00  0.00           C  
ATOM    243  CD  PRO A  18       4.118  17.204   6.537  1.00  0.00           C  
ATOM    244  HA  PRO A  18       2.822  16.276   3.656  1.00  0.00           H  
ATOM    245  HB2 PRO A  18       4.692  18.259   3.366  1.00  0.00           H  
ATOM    246  HB3 PRO A  18       3.142  18.509   4.181  1.00  0.00           H  
ATOM    247  HG2 PRO A  18       5.858  17.964   5.477  1.00  0.00           H  
ATOM    248  HG3 PRO A  18       4.689  19.236   5.895  1.00  0.00           H  
ATOM    249  HD2 PRO A  18       4.878  16.795   7.228  1.00  0.00           H  
ATOM    250  HD3 PRO A  18       3.336  17.704   7.139  1.00  0.00           H  
ATOM    251  N   GLY A  19       4.808  15.396   2.231  1.00  0.00           N  
ATOM    252  CA  GLY A  19       5.861  14.732   1.422  1.00  0.00           C  
ATOM    253  C   GLY A  19       5.289  13.783   0.342  1.00  0.00           C  
ATOM    254  O   GLY A  19       4.280  14.080  -0.308  1.00  0.00           O  
ATOM    255  H   GLY A  19       4.004  15.862   1.796  1.00  0.00           H  
ATOM    256  HA2 GLY A  19       6.458  15.511   0.913  1.00  0.00           H  
ATOM    257  HA3 GLY A  19       6.587  14.201   2.072  1.00  0.00           H  
ATOM    258  N   GLU A  20       5.965  12.633   0.161  1.00  0.00           N  
ATOM    259  CA  GLU A  20       5.498  11.536  -0.742  1.00  0.00           C  
ATOM    260  C   GLU A  20       4.473  10.604   0.000  1.00  0.00           C  
ATOM    261  O   GLU A  20       3.901  11.011   1.009  1.00  0.00           O  
ATOM    262  CB  GLU A  20       6.752  10.772  -1.271  1.00  0.00           C  
ATOM    263  CG  GLU A  20       7.720  11.542  -2.195  1.00  0.00           C  
ATOM    264  CD  GLU A  20       8.876  10.639  -2.642  1.00  0.00           C  
ATOM    265  OE1 GLU A  20       9.869  10.513  -1.891  1.00  0.00           O  
ATOM    266  OE2 GLU A  20       8.788  10.037  -3.735  1.00  0.00           O  
ATOM    267  H   GLU A  20       6.757  12.503   0.800  1.00  0.00           H  
ATOM    268  HA  GLU A  20       4.972  11.968  -1.616  1.00  0.00           H  
ATOM    269  HB2 GLU A  20       7.308  10.341  -0.415  1.00  0.00           H  
ATOM    270  HB3 GLU A  20       6.410   9.896  -1.854  1.00  0.00           H  
ATOM    271  HG2 GLU A  20       7.178  11.926  -3.080  1.00  0.00           H  
ATOM    272  HG3 GLU A  20       8.129  12.433  -1.684  1.00  0.00           H  
ATOM    273  N   ASN A  21       4.218   9.382  -0.519  1.00  0.00           N  
ATOM    274  CA  ASN A  21       3.789   8.162   0.245  1.00  0.00           C  
ATOM    275  C   ASN A  21       2.869   8.317   1.500  1.00  0.00           C  
ATOM    276  O   ASN A  21       1.666   8.047   1.432  1.00  0.00           O  
ATOM    277  CB  ASN A  21       4.942   7.122   0.497  1.00  0.00           C  
ATOM    278  CG  ASN A  21       6.162   7.047  -0.450  1.00  0.00           C  
ATOM    279  OD1 ASN A  21       6.086   7.296  -1.652  1.00  0.00           O  
ATOM    280  ND2 ASN A  21       7.316   6.658   0.063  1.00  0.00           N  
ATOM    281  H   ASN A  21       4.679   9.255  -1.427  1.00  0.00           H  
ATOM    282  HA  ASN A  21       3.139   7.647  -0.485  1.00  0.00           H  
ATOM    283  HB2 ASN A  21       5.330   7.237   1.529  1.00  0.00           H  
ATOM    284  HB3 ASN A  21       4.483   6.114   0.508  1.00  0.00           H  
ATOM    285 HD21 ASN A  21       7.333   6.474   1.074  1.00  0.00           H  
ATOM    286 HD22 ASN A  21       8.062   6.441  -0.609  1.00  0.00           H  
ATOM    287  N   LEU A  22       3.474   8.721   2.640  1.00  0.00           N  
ATOM    288  CA  LEU A  22       2.811   8.859   3.960  1.00  0.00           C  
ATOM    289  C   LEU A  22       2.583   7.442   4.533  1.00  0.00           C  
ATOM    290  O   LEU A  22       3.559   6.816   4.953  1.00  0.00           O  
ATOM    291  CB  LEU A  22       1.646   9.896   4.060  1.00  0.00           C  
ATOM    292  CG  LEU A  22       1.884  11.319   3.484  1.00  0.00           C  
ATOM    293  CD1 LEU A  22       0.707  12.242   3.822  1.00  0.00           C  
ATOM    294  CD2 LEU A  22       3.204  11.983   3.922  1.00  0.00           C  
ATOM    295  H   LEU A  22       4.483   8.878   2.535  1.00  0.00           H  
ATOM    296  HA  LEU A  22       3.598   9.276   4.618  1.00  0.00           H  
ATOM    297  HB2 LEU A  22       0.748   9.475   3.567  1.00  0.00           H  
ATOM    298  HB3 LEU A  22       1.374   9.986   5.128  1.00  0.00           H  
ATOM    299  HG  LEU A  22       1.900  11.231   2.384  1.00  0.00           H  
ATOM    300 HD11 LEU A  22      -0.253  11.827   3.480  1.00  0.00           H  
ATOM    301 HD12 LEU A  22       0.820  13.229   3.336  1.00  0.00           H  
ATOM    302 HD13 LEU A  22       0.616  12.412   4.909  1.00  0.00           H  
ATOM    303 HD21 LEU A  22       3.238  12.140   5.016  1.00  0.00           H  
ATOM    304 HD22 LEU A  22       3.342  12.965   3.433  1.00  0.00           H  
ATOM    305 HD23 LEU A  22       4.088  11.385   3.641  1.00  0.00           H  
ATOM    306  N   CYS A  23       1.359   6.891   4.452  1.00  0.00           N  
ATOM    307  CA  CYS A  23       1.127   5.458   4.731  1.00  0.00           C  
ATOM    308  C   CYS A  23       1.416   4.693   3.425  1.00  0.00           C  
ATOM    309  O   CYS A  23       0.599   4.664   2.496  1.00  0.00           O  
ATOM    310  CB  CYS A  23      -0.291   5.139   5.262  1.00  0.00           C  
ATOM    311  SG  CYS A  23      -1.056   6.505   6.154  1.00  0.00           S  
ATOM    312  H   CYS A  23       0.666   7.464   3.958  1.00  0.00           H  
ATOM    313  HA  CYS A  23       1.833   5.132   5.524  1.00  0.00           H  
ATOM    314  HB2 CYS A  23      -0.983   4.837   4.452  1.00  0.00           H  
ATOM    315  HB3 CYS A  23      -0.242   4.270   5.937  1.00  0.00           H  
ATOM    316  N   TYR A  24       2.605   4.077   3.380  1.00  0.00           N  
ATOM    317  CA  TYR A  24       3.018   3.172   2.282  1.00  0.00           C  
ATOM    318  C   TYR A  24       1.986   2.045   1.988  1.00  0.00           C  
ATOM    319  O   TYR A  24       1.286   1.558   2.888  1.00  0.00           O  
ATOM    320  CB  TYR A  24       4.452   2.619   2.559  1.00  0.00           C  
ATOM    321  CG  TYR A  24       4.866   2.090   3.965  1.00  0.00           C  
ATOM    322  CD1 TYR A  24       3.985   1.386   4.800  1.00  0.00           C  
ATOM    323  CD2 TYR A  24       6.165   2.346   4.418  1.00  0.00           C  
ATOM    324  CE1 TYR A  24       4.393   0.957   6.059  1.00  0.00           C  
ATOM    325  CE2 TYR A  24       6.578   1.902   5.672  1.00  0.00           C  
ATOM    326  CZ  TYR A  24       5.689   1.210   6.491  1.00  0.00           C  
ATOM    327  OH  TYR A  24       6.097   0.775   7.725  1.00  0.00           O  
ATOM    328  H   TYR A  24       3.204   4.233   4.200  1.00  0.00           H  
ATOM    329  HA  TYR A  24       3.101   3.806   1.377  1.00  0.00           H  
ATOM    330  HB2 TYR A  24       4.691   1.835   1.813  1.00  0.00           H  
ATOM    331  HB3 TYR A  24       5.138   3.445   2.282  1.00  0.00           H  
ATOM    332  HD1 TYR A  24       2.973   1.183   4.506  1.00  0.00           H  
ATOM    333  HD2 TYR A  24       6.860   2.914   3.817  1.00  0.00           H  
ATOM    334  HE1 TYR A  24       3.699   0.423   6.694  1.00  0.00           H  
ATOM    335  HE2 TYR A  24       7.582   2.105   6.012  1.00  0.00           H  
ATOM    336  HH  TYR A  24       7.026   0.993   7.835  1.00  0.00           H  
ATOM    337  N   ARG A  25       1.895   1.642   0.711  1.00  0.00           N  
ATOM    338  CA  ARG A  25       1.187   0.386   0.350  1.00  0.00           C  
ATOM    339  C   ARG A  25       2.274  -0.724   0.335  1.00  0.00           C  
ATOM    340  O   ARG A  25       2.824  -1.062  -0.711  1.00  0.00           O  
ATOM    341  CB  ARG A  25       0.291   0.527  -0.915  1.00  0.00           C  
ATOM    342  CG  ARG A  25      -0.612   1.792  -1.013  1.00  0.00           C  
ATOM    343  CD  ARG A  25      -1.717   2.152   0.019  1.00  0.00           C  
ATOM    344  NE  ARG A  25      -1.905   1.293   1.220  1.00  0.00           N  
ATOM    345  CZ  ARG A  25      -3.033   0.628   1.541  1.00  0.00           C  
ATOM    346  NH1 ARG A  25      -4.057   0.447   0.709  1.00  0.00           N  
ATOM    347  NH2 ARG A  25      -3.119   0.121   2.756  1.00  0.00           N  
ATOM    348  H   ARG A  25       2.436   2.188   0.031  1.00  0.00           H  
ATOM    349  HA  ARG A  25       0.468   0.113   1.145  1.00  0.00           H  
ATOM    350  HB2 ARG A  25       0.927   0.498  -1.821  1.00  0.00           H  
ATOM    351  HB3 ARG A  25      -0.352  -0.371  -1.001  1.00  0.00           H  
ATOM    352  HG2 ARG A  25       0.055   2.668  -1.106  1.00  0.00           H  
ATOM    353  HG3 ARG A  25      -1.094   1.773  -1.999  1.00  0.00           H  
ATOM    354  HD2 ARG A  25      -1.469   3.160   0.408  1.00  0.00           H  
ATOM    355  HD3 ARG A  25      -2.671   2.324  -0.515  1.00  0.00           H  
ATOM    356  HE  ARG A  25      -1.215   1.322   1.976  1.00  0.00           H  
ATOM    357 HH11 ARG A  25      -3.963   0.862  -0.223  1.00  0.00           H  
ATOM    358 HH12 ARG A  25      -4.865  -0.076   1.065  1.00  0.00           H  
ATOM    359 HH21 ARG A  25      -2.310   0.271   3.372  1.00  0.00           H  
ATOM    360 HH22 ARG A  25      -3.982  -0.392   2.981  1.00  0.00           H  
ATOM    361  N   LYS A  26       2.595  -1.216   1.551  1.00  0.00           N  
ATOM    362  CA  LYS A  26       3.593  -2.282   1.813  1.00  0.00           C  
ATOM    363  C   LYS A  26       2.812  -3.610   1.942  1.00  0.00           C  
ATOM    364  O   LYS A  26       1.988  -3.693   2.845  1.00  0.00           O  
ATOM    365  CB  LYS A  26       4.335  -1.941   3.147  1.00  0.00           C  
ATOM    366  CG  LYS A  26       5.287  -3.047   3.665  1.00  0.00           C  
ATOM    367  CD  LYS A  26       6.102  -2.710   4.928  1.00  0.00           C  
ATOM    368  CE  LYS A  26       5.293  -2.709   6.240  1.00  0.00           C  
ATOM    369  NZ  LYS A  26       6.167  -2.475   7.404  1.00  0.00           N  
ATOM    370  H   LYS A  26       2.072  -0.781   2.319  1.00  0.00           H  
ATOM    371  HA  LYS A  26       4.339  -2.322   0.995  1.00  0.00           H  
ATOM    372  HB2 LYS A  26       4.910  -1.007   3.008  1.00  0.00           H  
ATOM    373  HB3 LYS A  26       3.610  -1.710   3.953  1.00  0.00           H  
ATOM    374  HG2 LYS A  26       4.729  -3.985   3.855  1.00  0.00           H  
ATOM    375  HG3 LYS A  26       5.981  -3.300   2.846  1.00  0.00           H  
ATOM    376  HD2 LYS A  26       6.907  -3.465   5.012  1.00  0.00           H  
ATOM    377  HD3 LYS A  26       6.618  -1.742   4.792  1.00  0.00           H  
ATOM    378  HE2 LYS A  26       4.514  -1.925   6.218  1.00  0.00           H  
ATOM    379  HE3 LYS A  26       4.764  -3.673   6.374  1.00  0.00           H  
ATOM    380  HZ1 LYS A  26       6.619  -1.553   7.366  1.00  0.00           H  
ATOM    381  HZ2 LYS A  26       6.916  -3.172   7.460  1.00  0.00           H  
ATOM    382  HZ3 LYS A  26       5.645  -2.520   8.287  1.00  0.00           H  
ATOM    383  N   MET A  27       3.126  -4.628   1.123  1.00  0.00           N  
ATOM    384  CA  MET A  27       2.376  -5.922   1.034  1.00  0.00           C  
ATOM    385  C   MET A  27       2.387  -6.774   2.370  1.00  0.00           C  
ATOM    386  O   MET A  27       2.202  -6.241   3.468  1.00  0.00           O  
ATOM    387  CB  MET A  27       3.020  -6.637  -0.202  1.00  0.00           C  
ATOM    388  CG  MET A  27       2.232  -7.738  -0.917  1.00  0.00           C  
ATOM    389  SD  MET A  27       3.370  -9.028  -1.461  1.00  0.00           S  
ATOM    390  CE  MET A  27       2.586  -9.607  -2.975  1.00  0.00           C  
ATOM    391  H   MET A  27       3.863  -4.393   0.450  1.00  0.00           H  
ATOM    392  HA  MET A  27       1.329  -5.675   0.780  1.00  0.00           H  
ATOM    393  HB2 MET A  27       3.303  -5.927  -0.997  1.00  0.00           H  
ATOM    394  HB3 MET A  27       3.969  -7.086   0.139  1.00  0.00           H  
ATOM    395  HG2 MET A  27       1.479  -8.201  -0.260  1.00  0.00           H  
ATOM    396  HG3 MET A  27       1.698  -7.311  -1.786  1.00  0.00           H  
ATOM    397  HE1 MET A  27       3.191 -10.404  -3.446  1.00  0.00           H  
ATOM    398  HE2 MET A  27       1.582 -10.013  -2.762  1.00  0.00           H  
ATOM    399  HE3 MET A  27       2.483  -8.782  -3.702  1.00  0.00           H  
ATOM    400  N   TRP A  28       2.641  -8.098   2.304  1.00  0.00           N  
ATOM    401  CA  TRP A  28       3.318  -8.856   3.386  1.00  0.00           C  
ATOM    402  C   TRP A  28       2.413  -9.208   4.611  1.00  0.00           C  
ATOM    403  O   TRP A  28       1.199  -9.402   4.483  1.00  0.00           O  
ATOM    404  CB  TRP A  28       4.780  -8.305   3.588  1.00  0.00           C  
ATOM    405  CG  TRP A  28       5.822  -9.189   4.292  1.00  0.00           C  
ATOM    406  CD1 TRP A  28       6.584  -8.820   5.425  1.00  0.00           C  
ATOM    407  CD2 TRP A  28       6.199 -10.490   4.001  1.00  0.00           C  
ATOM    408  NE1 TRP A  28       7.444  -9.861   5.834  1.00  0.00           N  
ATOM    409  CE2 TRP A  28       7.161 -10.898   4.961  1.00  0.00           C  
ATOM    410  CE3 TRP A  28       5.780 -11.388   2.984  1.00  0.00           C  
ATOM    411  CZ2 TRP A  28       7.686 -12.215   4.926  1.00  0.00           C  
ATOM    412  CZ3 TRP A  28       6.288 -12.686   2.987  1.00  0.00           C  
ATOM    413  CH2 TRP A  28       7.222 -13.093   3.947  1.00  0.00           C  
ATOM    414  H   TRP A  28       2.678  -8.470   1.348  1.00  0.00           H  
ATOM    415  HA  TRP A  28       3.454  -9.844   2.916  1.00  0.00           H  
ATOM    416  HB2 TRP A  28       5.215  -8.104   2.593  1.00  0.00           H  
ATOM    417  HB3 TRP A  28       4.743  -7.318   4.087  1.00  0.00           H  
ATOM    418  HD1 TRP A  28       6.500  -7.873   5.942  1.00  0.00           H  
ATOM    419  HE1 TRP A  28       8.124  -9.860   6.603  1.00  0.00           H  
ATOM    420  HE3 TRP A  28       5.083 -11.079   2.220  1.00  0.00           H  
ATOM    421  HZ2 TRP A  28       8.424 -12.548   5.643  1.00  0.00           H  
ATOM    422  HZ3 TRP A  28       5.932 -13.395   2.252  1.00  0.00           H  
ATOM    423  HH2 TRP A  28       7.587 -14.109   3.934  1.00  0.00           H  
ATOM    424  N   CYS A  29       3.066  -9.459   5.754  1.00  0.00           N  
ATOM    425  CA  CYS A  29       2.602 -10.447   6.760  1.00  0.00           C  
ATOM    426  C   CYS A  29       3.353 -10.332   8.118  1.00  0.00           C  
ATOM    427  O   CYS A  29       2.716 -10.372   9.177  1.00  0.00           O  
ATOM    428  CB  CYS A  29       2.727 -11.895   6.213  1.00  0.00           C  
ATOM    429  SG  CYS A  29       1.581 -12.872   7.164  1.00  0.00           S  
ATOM    430  H   CYS A  29       4.059  -9.198   5.710  1.00  0.00           H  
ATOM    431  HA  CYS A  29       1.536 -10.247   6.971  1.00  0.00           H  
ATOM    432  HB2 CYS A  29       2.438 -11.985   5.149  1.00  0.00           H  
ATOM    433  HB3 CYS A  29       3.753 -12.301   6.290  1.00  0.00           H  
ATOM    434  N   ASP A  30       4.707 -10.254   8.066  1.00  0.00           N  
ATOM    435  CA  ASP A  30       5.610 -10.218   9.248  1.00  0.00           C  
ATOM    436  C   ASP A  30       5.653 -11.636   9.906  1.00  0.00           C  
ATOM    437  O   ASP A  30       6.330 -12.522   9.373  1.00  0.00           O  
ATOM    438  CB  ASP A  30       5.382  -8.958  10.149  1.00  0.00           C  
ATOM    439  CG  ASP A  30       6.554  -8.609  11.075  1.00  0.00           C  
ATOM    440  OD1 ASP A  30       6.628  -9.152  12.200  1.00  0.00           O  
ATOM    441  OD2 ASP A  30       7.402  -7.774  10.687  1.00  0.00           O  
ATOM    442  H   ASP A  30       5.076 -10.209   7.108  1.00  0.00           H  
ATOM    443  HA  ASP A  30       6.622 -10.079   8.810  1.00  0.00           H  
ATOM    444  HB2 ASP A  30       5.182  -8.073   9.513  1.00  0.00           H  
ATOM    445  HB3 ASP A  30       4.465  -9.064  10.762  1.00  0.00           H  
ATOM    446  N   ALA A  31       4.904 -11.865  11.005  1.00  0.00           N  
ATOM    447  CA  ALA A  31       4.761 -13.206  11.629  1.00  0.00           C  
ATOM    448  C   ALA A  31       3.489 -13.979  11.171  1.00  0.00           C  
ATOM    449  O   ALA A  31       3.645 -15.109  10.699  1.00  0.00           O  
ATOM    450  CB  ALA A  31       4.893 -13.087  13.159  1.00  0.00           C  
ATOM    451  H   ALA A  31       4.398 -11.048  11.361  1.00  0.00           H  
ATOM    452  HA  ALA A  31       5.625 -13.827  11.327  1.00  0.00           H  
ATOM    453  HB1 ALA A  31       5.867 -12.650  13.445  1.00  0.00           H  
ATOM    454  HB2 ALA A  31       4.850 -14.079  13.648  1.00  0.00           H  
ATOM    455  HB3 ALA A  31       4.101 -12.459  13.607  1.00  0.00           H  
ATOM    456  N   PHE A  32       2.261 -13.421  11.313  1.00  0.00           N  
ATOM    457  CA  PHE A  32       0.999 -14.154  10.975  1.00  0.00           C  
ATOM    458  C   PHE A  32       0.101 -13.398   9.957  1.00  0.00           C  
ATOM    459  O   PHE A  32      -0.023 -12.169   9.988  1.00  0.00           O  
ATOM    460  CB  PHE A  32       0.156 -14.458  12.249  1.00  0.00           C  
ATOM    461  CG  PHE A  32       0.777 -15.475  13.220  1.00  0.00           C  
ATOM    462  CD1 PHE A  32       0.899 -16.820  12.851  1.00  0.00           C  
ATOM    463  CD2 PHE A  32       1.232 -15.061  14.475  1.00  0.00           C  
ATOM    464  CE1 PHE A  32       1.484 -17.734  13.723  1.00  0.00           C  
ATOM    465  CE2 PHE A  32       1.817 -15.977  15.345  1.00  0.00           C  
ATOM    466  CZ  PHE A  32       1.944 -17.313  14.968  1.00  0.00           C  
ATOM    467  H   PHE A  32       2.252 -12.504  11.772  1.00  0.00           H  
ATOM    468  HA  PHE A  32       1.256 -15.132  10.519  1.00  0.00           H  
ATOM    469  HB2 PHE A  32      -0.097 -13.510  12.764  1.00  0.00           H  
ATOM    470  HB3 PHE A  32      -0.833 -14.859  11.948  1.00  0.00           H  
ATOM    471  HD1 PHE A  32       0.551 -17.155  11.883  1.00  0.00           H  
ATOM    472  HD2 PHE A  32       1.136 -14.028  14.778  1.00  0.00           H  
ATOM    473  HE1 PHE A  32       1.579 -18.770  13.430  1.00  0.00           H  
ATOM    474  HE2 PHE A  32       2.170 -15.649  16.311  1.00  0.00           H  
ATOM    475  HZ  PHE A  32       2.402 -18.021  15.640  1.00  0.00           H  
ATOM    476  N   CYS A  33      -0.593 -14.197   9.115  1.00  0.00           N  
ATOM    477  CA  CYS A  33      -1.764 -13.737   8.325  1.00  0.00           C  
ATOM    478  C   CYS A  33      -2.952 -14.695   8.589  1.00  0.00           C  
ATOM    479  O   CYS A  33      -3.811 -14.370   9.415  1.00  0.00           O  
ATOM    480  CB  CYS A  33      -1.407 -13.519   6.834  1.00  0.00           C  
ATOM    481  SG  CYS A  33      -0.246 -12.160   6.777  1.00  0.00           S  
ATOM    482  H   CYS A  33      -0.342 -15.190   9.174  1.00  0.00           H  
ATOM    483  HA  CYS A  33      -2.101 -12.748   8.694  1.00  0.00           H  
ATOM    484  HB2 CYS A  33      -0.967 -14.416   6.357  1.00  0.00           H  
ATOM    485  HB3 CYS A  33      -2.306 -13.250   6.246  1.00  0.00           H  
ATOM    486  N   SER A  34      -3.038 -15.839   7.868  1.00  0.00           N  
ATOM    487  CA  SER A  34      -4.285 -16.662   7.753  1.00  0.00           C  
ATOM    488  C   SER A  34      -5.586 -15.848   7.399  1.00  0.00           C  
ATOM    489  O   SER A  34      -6.616 -15.943   8.073  1.00  0.00           O  
ATOM    490  CB  SER A  34      -4.413 -17.604   8.979  1.00  0.00           C  
ATOM    491  OG  SER A  34      -3.333 -18.531   9.029  1.00  0.00           O  
ATOM    492  H   SER A  34      -2.242 -15.993   7.239  1.00  0.00           H  
ATOM    493  HA  SER A  34      -4.124 -17.330   6.884  1.00  0.00           H  
ATOM    494  HB2 SER A  34      -4.436 -17.028   9.923  1.00  0.00           H  
ATOM    495  HB3 SER A  34      -5.360 -18.172   8.945  1.00  0.00           H  
ATOM    496  HG  SER A  34      -2.533 -18.003   9.095  1.00  0.00           H  
ATOM    497  N   SER A  35      -5.481 -15.009   6.351  1.00  0.00           N  
ATOM    498  CA  SER A  35      -6.432 -13.907   6.053  1.00  0.00           C  
ATOM    499  C   SER A  35      -6.696 -13.854   4.518  1.00  0.00           C  
ATOM    500  O   SER A  35      -5.945 -14.424   3.716  1.00  0.00           O  
ATOM    501  CB  SER A  35      -5.799 -12.599   6.597  1.00  0.00           C  
ATOM    502  OG  SER A  35      -6.690 -11.496   6.488  1.00  0.00           O  
ATOM    503  H   SER A  35      -4.565 -15.038   5.887  1.00  0.00           H  
ATOM    504  HA  SER A  35      -7.396 -14.072   6.576  1.00  0.00           H  
ATOM    505  HB2 SER A  35      -5.526 -12.715   7.664  1.00  0.00           H  
ATOM    506  HB3 SER A  35      -4.856 -12.355   6.071  1.00  0.00           H  
ATOM    507  HG  SER A  35      -6.699 -11.248   5.561  1.00  0.00           H  
ATOM    508  N   ARG A  36      -7.779 -13.165   4.107  1.00  0.00           N  
ATOM    509  CA  ARG A  36      -8.153 -13.045   2.666  1.00  0.00           C  
ATOM    510  C   ARG A  36      -8.444 -11.581   2.229  1.00  0.00           C  
ATOM    511  O   ARG A  36      -9.577 -11.168   1.970  1.00  0.00           O  
ATOM    512  CB  ARG A  36      -9.254 -14.089   2.299  1.00  0.00           C  
ATOM    513  CG  ARG A  36      -8.708 -15.290   1.484  1.00  0.00           C  
ATOM    514  CD  ARG A  36      -9.249 -16.677   1.879  1.00  0.00           C  
ATOM    515  NE  ARG A  36      -8.775 -17.176   3.202  1.00  0.00           N  
ATOM    516  CZ  ARG A  36      -7.520 -17.607   3.466  1.00  0.00           C  
ATOM    517  NH1 ARG A  36      -6.529 -17.590   2.578  1.00  0.00           N  
ATOM    518  NH2 ARG A  36      -7.260 -18.071   4.672  1.00  0.00           N  
ATOM    519  H   ARG A  36      -8.293 -12.687   4.855  1.00  0.00           H  
ATOM    520  HA  ARG A  36      -7.266 -13.312   2.053  1.00  0.00           H  
ATOM    521  HB2 ARG A  36      -9.782 -14.444   3.206  1.00  0.00           H  
ATOM    522  HB3 ARG A  36     -10.066 -13.636   1.700  1.00  0.00           H  
ATOM    523  HG2 ARG A  36      -8.920 -15.105   0.414  1.00  0.00           H  
ATOM    524  HG3 ARG A  36      -7.604 -15.336   1.526  1.00  0.00           H  
ATOM    525  HD2 ARG A  36     -10.355 -16.651   1.880  1.00  0.00           H  
ATOM    526  HD3 ARG A  36      -8.985 -17.405   1.087  1.00  0.00           H  
ATOM    527  HE  ARG A  36      -9.429 -17.275   3.987  1.00  0.00           H  
ATOM    528 HH11 ARG A  36      -6.755 -17.209   1.654  1.00  0.00           H  
ATOM    529 HH12 ARG A  36      -5.616 -17.934   2.895  1.00  0.00           H  
ATOM    530 HH21 ARG A  36      -8.040 -18.088   5.337  1.00  0.00           H  
ATOM    531 HH22 ARG A  36      -6.302 -18.399   4.836  1.00  0.00           H  
ATOM    532  N   GLY A  37      -7.335 -10.848   2.069  1.00  0.00           N  
ATOM    533  CA  GLY A  37      -7.225  -9.663   1.211  1.00  0.00           C  
ATOM    534  C   GLY A  37      -6.107  -8.745   1.754  1.00  0.00           C  
ATOM    535  O   GLY A  37      -6.441  -7.643   2.185  1.00  0.00           O  
ATOM    536  H   GLY A  37      -6.479 -11.322   2.375  1.00  0.00           H  
ATOM    537  HA2 GLY A  37      -6.993  -9.980   0.177  1.00  0.00           H  
ATOM    538  HA3 GLY A  37      -8.187  -9.116   1.146  1.00  0.00           H  
ATOM    539  N   LYS A  38      -4.786  -9.042   1.828  1.00  0.00           N  
ATOM    540  CA  LYS A  38      -4.117 -10.300   1.370  1.00  0.00           C  
ATOM    541  C   LYS A  38      -2.723  -9.980   0.742  1.00  0.00           C  
ATOM    542  O   LYS A  38      -2.408 -10.482  -0.340  1.00  0.00           O  
ATOM    543  CB  LYS A  38      -4.018 -11.346   2.531  1.00  0.00           C  
ATOM    544  CG  LYS A  38      -3.179 -12.637   2.359  1.00  0.00           C  
ATOM    545  CD  LYS A  38      -3.747 -13.731   1.418  1.00  0.00           C  
ATOM    546  CE  LYS A  38      -3.343 -13.684  -0.074  1.00  0.00           C  
ATOM    547  NZ  LYS A  38      -4.435 -13.226  -0.955  1.00  0.00           N  
ATOM    548  H   LYS A  38      -4.235  -8.308   2.292  1.00  0.00           H  
ATOM    549  HA  LYS A  38      -4.713 -10.748   0.554  1.00  0.00           H  
ATOM    550  HB2 LYS A  38      -3.618 -10.840   3.429  1.00  0.00           H  
ATOM    551  HB3 LYS A  38      -5.031 -11.662   2.840  1.00  0.00           H  
ATOM    552  HG2 LYS A  38      -2.132 -12.399   2.098  1.00  0.00           H  
ATOM    553  HG3 LYS A  38      -3.101 -13.080   3.373  1.00  0.00           H  
ATOM    554  HD2 LYS A  38      -3.403 -14.706   1.806  1.00  0.00           H  
ATOM    555  HD3 LYS A  38      -4.844 -13.792   1.534  1.00  0.00           H  
ATOM    556  HE2 LYS A  38      -2.449 -13.055  -0.233  1.00  0.00           H  
ATOM    557  HE3 LYS A  38      -3.042 -14.696  -0.409  1.00  0.00           H  
ATOM    558  HZ1 LYS A  38      -4.235 -13.412  -1.944  1.00  0.00           H  
ATOM    559  HZ2 LYS A  38      -4.611 -12.221  -0.859  1.00  0.00           H  
ATOM    560  HZ3 LYS A  38      -5.309 -13.716  -0.742  1.00  0.00           H  
ATOM    561  N   VAL A  39      -1.828  -9.197   1.373  1.00  0.00           N  
ATOM    562  CA  VAL A  39      -1.603  -7.773   0.979  1.00  0.00           C  
ATOM    563  C   VAL A  39      -1.839  -6.820   2.205  1.00  0.00           C  
ATOM    564  O   VAL A  39      -2.800  -6.945   2.971  1.00  0.00           O  
ATOM    565  CB  VAL A  39      -2.207  -7.263  -0.405  1.00  0.00           C  
ATOM    566  CG1 VAL A  39      -3.268  -6.146  -0.300  1.00  0.00           C  
ATOM    567  CG2 VAL A  39      -1.086  -6.932  -1.403  1.00  0.00           C  
ATOM    568  H   VAL A  39      -0.959  -9.731   1.479  1.00  0.00           H  
ATOM    569  HA  VAL A  39      -0.501  -7.787   0.841  1.00  0.00           H  
ATOM    570  HB  VAL A  39      -2.742  -8.077  -0.919  1.00  0.00           H  
ATOM    571 HG11 VAL A  39      -3.864  -6.012  -1.209  1.00  0.00           H  
ATOM    572 HG12 VAL A  39      -2.809  -5.171  -0.074  1.00  0.00           H  
ATOM    573 HG13 VAL A  39      -3.995  -6.379   0.495  1.00  0.00           H  
ATOM    574 HG21 VAL A  39      -0.450  -6.088  -1.072  1.00  0.00           H  
ATOM    575 HG22 VAL A  39      -1.450  -6.705  -2.411  1.00  0.00           H  
ATOM    576 HG23 VAL A  39      -0.452  -7.822  -1.553  1.00  0.00           H  
ATOM    577  N   VAL A  40      -0.969  -5.807   2.263  1.00  0.00           N  
ATOM    578  CA  VAL A  40      -1.137  -4.531   3.004  1.00  0.00           C  
ATOM    579  C   VAL A  40      -1.537  -4.549   4.512  1.00  0.00           C  
ATOM    580  O   VAL A  40      -2.667  -4.899   4.857  1.00  0.00           O  
ATOM    581  CB  VAL A  40      -1.720  -3.320   2.197  1.00  0.00           C  
ATOM    582  CG1 VAL A  40      -1.003  -3.035   0.852  1.00  0.00           C  
ATOM    583  CG2 VAL A  40      -3.257  -3.326   2.065  1.00  0.00           C  
ATOM    584  H   VAL A  40      -0.216  -5.897   1.573  1.00  0.00           H  
ATOM    585  HA  VAL A  40      -0.092  -4.256   3.025  1.00  0.00           H  
ATOM    586  HB  VAL A  40      -1.495  -2.410   2.787  1.00  0.00           H  
ATOM    587 HG11 VAL A  40      -1.033  -3.889   0.156  1.00  0.00           H  
ATOM    588 HG12 VAL A  40       0.071  -2.836   1.005  1.00  0.00           H  
ATOM    589 HG13 VAL A  40      -1.422  -2.147   0.339  1.00  0.00           H  
ATOM    590 HG21 VAL A  40      -3.724  -3.053   3.027  1.00  0.00           H  
ATOM    591 HG22 VAL A  40      -3.667  -4.310   1.784  1.00  0.00           H  
ATOM    592 HG23 VAL A  40      -3.619  -2.584   1.330  1.00  0.00           H  
ATOM    593  N   GLU A  41      -0.638  -4.027   5.375  1.00  0.00           N  
ATOM    594  CA  GLU A  41      -1.045  -3.313   6.614  1.00  0.00           C  
ATOM    595  C   GLU A  41      -1.015  -1.777   6.272  1.00  0.00           C  
ATOM    596  O   GLU A  41      -1.803  -1.381   5.407  1.00  0.00           O  
ATOM    597  CB  GLU A  41      -0.192  -3.854   7.798  1.00  0.00           C  
ATOM    598  CG  GLU A  41      -0.630  -3.325   9.185  1.00  0.00           C  
ATOM    599  CD  GLU A  41       0.227  -3.888  10.321  1.00  0.00           C  
ATOM    600  OE1 GLU A  41      -0.090  -4.987  10.831  1.00  0.00           O  
ATOM    601  OE2 GLU A  41       1.224  -3.236  10.706  1.00  0.00           O  
ATOM    602  H   GLU A  41       0.280  -3.837   4.956  1.00  0.00           H  
ATOM    603  HA  GLU A  41      -2.097  -3.563   6.860  1.00  0.00           H  
ATOM    604  HB2 GLU A  41      -0.248  -4.963   7.830  1.00  0.00           H  
ATOM    605  HB3 GLU A  41       0.877  -3.621   7.622  1.00  0.00           H  
ATOM    606  HG2 GLU A  41      -0.582  -2.220   9.222  1.00  0.00           H  
ATOM    607  HG3 GLU A  41      -1.693  -3.571   9.375  1.00  0.00           H  
ATOM    608  N   LEU A  42      -0.174  -0.927   6.920  1.00  0.00           N  
ATOM    609  CA  LEU A  42      -0.124   0.568   6.733  1.00  0.00           C  
ATOM    610  C   LEU A  42       0.834   1.243   7.791  1.00  0.00           C  
ATOM    611  O   LEU A  42       1.140   0.658   8.838  1.00  0.00           O  
ATOM    612  CB  LEU A  42      -1.515   1.291   6.644  1.00  0.00           C  
ATOM    613  CG  LEU A  42      -2.553   1.036   7.779  1.00  0.00           C  
ATOM    614  CD1 LEU A  42      -2.425   2.045   8.935  1.00  0.00           C  
ATOM    615  CD2 LEU A  42      -3.995   1.009   7.237  1.00  0.00           C  
ATOM    616  H   LEU A  42       0.413  -1.380   7.631  1.00  0.00           H  
ATOM    617  HA  LEU A  42       0.357   0.715   5.745  1.00  0.00           H  
ATOM    618  HB2 LEU A  42      -1.363   2.377   6.515  1.00  0.00           H  
ATOM    619  HB3 LEU A  42      -1.962   1.000   5.676  1.00  0.00           H  
ATOM    620  HG  LEU A  42      -2.371   0.030   8.195  1.00  0.00           H  
ATOM    621 HD11 LEU A  42      -3.141   1.818   9.748  1.00  0.00           H  
ATOM    622 HD12 LEU A  42      -2.617   3.084   8.603  1.00  0.00           H  
ATOM    623 HD13 LEU A  42      -1.417   2.017   9.390  1.00  0.00           H  
ATOM    624 HD21 LEU A  42      -4.717   0.709   8.020  1.00  0.00           H  
ATOM    625 HD22 LEU A  42      -4.101   0.270   6.420  1.00  0.00           H  
ATOM    626 HD23 LEU A  42      -4.308   1.993   6.836  1.00  0.00           H  
ATOM    627  N   GLY A  43       1.294   2.493   7.532  1.00  0.00           N  
ATOM    628  CA  GLY A  43       2.197   3.236   8.463  1.00  0.00           C  
ATOM    629  C   GLY A  43       2.192   4.787   8.325  1.00  0.00           C  
ATOM    630  O   GLY A  43       1.188   5.377   7.924  1.00  0.00           O  
ATOM    631  H   GLY A  43       0.956   2.907   6.656  1.00  0.00           H  
ATOM    632  HA2 GLY A  43       1.945   2.997   9.512  1.00  0.00           H  
ATOM    633  HA3 GLY A  43       3.221   2.844   8.314  1.00  0.00           H  
ATOM    634  N   CYS A  44       3.306   5.454   8.700  1.00  0.00           N  
ATOM    635  CA  CYS A  44       3.557   6.900   8.395  1.00  0.00           C  
ATOM    636  C   CYS A  44       5.095   7.083   8.215  1.00  0.00           C  
ATOM    637  O   CYS A  44       5.866   6.957   9.174  1.00  0.00           O  
ATOM    638  CB  CYS A  44       2.968   7.887   9.434  1.00  0.00           C  
ATOM    639  SG  CYS A  44       1.168   7.962   9.284  1.00  0.00           S  
ATOM    640  H   CYS A  44       4.014   4.879   9.171  1.00  0.00           H  
ATOM    641  HA  CYS A  44       3.055   7.159   7.444  1.00  0.00           H  
ATOM    642  HB2 CYS A  44       3.252   7.622  10.470  1.00  0.00           H  
ATOM    643  HB3 CYS A  44       3.350   8.911   9.259  1.00  0.00           H  
ATOM    644  N   ALA A  45       5.534   7.315   6.959  1.00  0.00           N  
ATOM    645  CA  ALA A  45       6.894   6.933   6.489  1.00  0.00           C  
ATOM    646  C   ALA A  45       7.501   7.926   5.450  1.00  0.00           C  
ATOM    647  O   ALA A  45       8.515   8.557   5.764  1.00  0.00           O  
ATOM    648  CB  ALA A  45       6.841   5.483   5.951  1.00  0.00           C  
ATOM    649  H   ALA A  45       4.777   7.449   6.280  1.00  0.00           H  
ATOM    650  HA  ALA A  45       7.587   6.921   7.354  1.00  0.00           H  
ATOM    651  HB1 ALA A  45       7.851   5.073   5.772  1.00  0.00           H  
ATOM    652  HB2 ALA A  45       6.347   4.789   6.658  1.00  0.00           H  
ATOM    653  HB3 ALA A  45       6.287   5.415   4.993  1.00  0.00           H  
ATOM    654  N   ALA A  46       6.935   8.039   4.221  1.00  0.00           N  
ATOM    655  CA  ALA A  46       7.510   8.852   3.102  1.00  0.00           C  
ATOM    656  C   ALA A  46       8.900   8.415   2.505  1.00  0.00           C  
ATOM    657  O   ALA A  46       9.575   9.248   1.891  1.00  0.00           O  
ATOM    658  CB  ALA A  46       7.409  10.367   3.419  1.00  0.00           C  
ATOM    659  H   ALA A  46       6.084   7.481   4.088  1.00  0.00           H  
ATOM    660  HA  ALA A  46       6.803   8.713   2.266  1.00  0.00           H  
ATOM    661  HB1 ALA A  46       6.415  10.648   3.817  1.00  0.00           H  
ATOM    662  HB2 ALA A  46       7.570  10.982   2.514  1.00  0.00           H  
ATOM    663  HB3 ALA A  46       8.158  10.685   4.166  1.00  0.00           H  
ATOM    664  N   THR A  47       9.316   7.127   2.634  1.00  0.00           N  
ATOM    665  CA  THR A  47      10.695   6.669   2.266  1.00  0.00           C  
ATOM    666  C   THR A  47      10.813   5.277   1.550  1.00  0.00           C  
ATOM    667  O   THR A  47      11.640   5.181   0.642  1.00  0.00           O  
ATOM    668  CB  THR A  47      11.653   6.808   3.493  1.00  0.00           C  
ATOM    669  OG1 THR A  47      13.007   6.647   3.082  1.00  0.00           O  
ATOM    670  CG2 THR A  47      11.391   5.854   4.674  1.00  0.00           C  
ATOM    671  H   THR A  47       8.692   6.542   3.201  1.00  0.00           H  
ATOM    672  HA  THR A  47      11.088   7.384   1.515  1.00  0.00           H  
ATOM    673  HB  THR A  47      11.562   7.839   3.886  1.00  0.00           H  
ATOM    674  HG1 THR A  47      13.212   7.408   2.534  1.00  0.00           H  
ATOM    675 HG21 THR A  47      10.341   5.913   5.018  1.00  0.00           H  
ATOM    676 HG22 THR A  47      12.035   6.104   5.536  1.00  0.00           H  
ATOM    677 HG23 THR A  47      11.596   4.801   4.406  1.00  0.00           H  
ATOM    678  N   CYS A  48      10.097   4.211   1.992  1.00  0.00           N  
ATOM    679  CA  CYS A  48      10.370   2.781   1.637  1.00  0.00           C  
ATOM    680  C   CYS A  48      11.773   2.254   2.113  1.00  0.00           C  
ATOM    681  O   CYS A  48      12.721   2.355   1.327  1.00  0.00           O  
ATOM    682  CB  CYS A  48       9.974   2.335   0.206  1.00  0.00           C  
ATOM    683  SG  CYS A  48      10.736   3.307  -1.108  1.00  0.00           S  
ATOM    684  H   CYS A  48       9.457   4.440   2.761  1.00  0.00           H  
ATOM    685  HA  CYS A  48       9.626   2.227   2.237  1.00  0.00           H  
ATOM    686  HB2 CYS A  48      10.225   1.269   0.045  1.00  0.00           H  
ATOM    687  HB3 CYS A  48       8.880   2.391   0.092  1.00  0.00           H  
ATOM    688  N   PRO A  49      11.961   1.695   3.352  1.00  0.00           N  
ATOM    689  CA  PRO A  49      13.308   1.335   3.891  1.00  0.00           C  
ATOM    690  C   PRO A  49      13.793  -0.154   3.816  1.00  0.00           C  
ATOM    691  O   PRO A  49      15.013  -0.362   3.850  1.00  0.00           O  
ATOM    692  CB  PRO A  49      13.168   1.804   5.354  1.00  0.00           C  
ATOM    693  CG  PRO A  49      11.712   1.510   5.725  1.00  0.00           C  
ATOM    694  CD  PRO A  49      10.939   1.739   4.424  1.00  0.00           C  
ATOM    695  HA  PRO A  49      14.086   1.958   3.413  1.00  0.00           H  
ATOM    696  HB2 PRO A  49      13.886   1.329   6.051  1.00  0.00           H  
ATOM    697  HB3 PRO A  49      13.360   2.896   5.418  1.00  0.00           H  
ATOM    698  HG2 PRO A  49      11.615   0.458   6.054  1.00  0.00           H  
ATOM    699  HG3 PRO A  49      11.353   2.147   6.555  1.00  0.00           H  
ATOM    700  HD2 PRO A  49      10.160   0.964   4.280  1.00  0.00           H  
ATOM    701  HD3 PRO A  49      10.432   2.720   4.461  1.00  0.00           H  
ATOM    702  N   SER A  50      12.899  -1.170   3.795  1.00  0.00           N  
ATOM    703  CA  SER A  50      13.284  -2.600   4.031  1.00  0.00           C  
ATOM    704  C   SER A  50      13.282  -3.344   2.657  1.00  0.00           C  
ATOM    705  O   SER A  50      14.106  -2.993   1.805  1.00  0.00           O  
ATOM    706  CB  SER A  50      12.395  -3.169   5.172  1.00  0.00           C  
ATOM    707  OG  SER A  50      12.513  -2.402   6.369  1.00  0.00           O  
ATOM    708  H   SER A  50      11.919  -0.881   3.681  1.00  0.00           H  
ATOM    709  HA  SER A  50      14.323  -2.668   4.403  1.00  0.00           H  
ATOM    710  HB2 SER A  50      11.331  -3.203   4.869  1.00  0.00           H  
ATOM    711  HB3 SER A  50      12.681  -4.214   5.397  1.00  0.00           H  
ATOM    712  HG  SER A  50      11.690  -2.525   6.849  1.00  0.00           H  
ATOM    713  N   LYS A  51      12.339  -4.278   2.387  1.00  0.00           N  
ATOM    714  CA  LYS A  51      11.744  -4.488   1.031  1.00  0.00           C  
ATOM    715  C   LYS A  51      12.733  -4.872  -0.115  1.00  0.00           C  
ATOM    716  O   LYS A  51      13.293  -3.965  -0.731  1.00  0.00           O  
ATOM    717  CB  LYS A  51      10.851  -3.255   0.684  1.00  0.00           C  
ATOM    718  CG  LYS A  51       9.999  -3.347  -0.604  1.00  0.00           C  
ATOM    719  CD  LYS A  51      10.516  -2.507  -1.796  1.00  0.00           C  
ATOM    720  CE  LYS A  51      10.925  -3.326  -3.031  1.00  0.00           C  
ATOM    721  NZ  LYS A  51       9.769  -3.917  -3.698  1.00  0.00           N  
ATOM    722  H   LYS A  51      11.788  -4.523   3.217  1.00  0.00           H  
ATOM    723  HA  LYS A  51      11.060  -5.343   1.154  1.00  0.00           H  
ATOM    724  HB2 LYS A  51      10.170  -3.063   1.534  1.00  0.00           H  
ATOM    725  HB3 LYS A  51      11.487  -2.350   0.646  1.00  0.00           H  
ATOM    726  HG2 LYS A  51       9.900  -4.409  -0.908  1.00  0.00           H  
ATOM    727  HG3 LYS A  51       8.964  -3.033  -0.354  1.00  0.00           H  
ATOM    728  HD2 LYS A  51       9.714  -1.803  -2.051  1.00  0.00           H  
ATOM    729  HD3 LYS A  51      11.356  -1.842  -1.519  1.00  0.00           H  
ATOM    730  HE2 LYS A  51      11.457  -2.709  -3.772  1.00  0.00           H  
ATOM    731  HE3 LYS A  51      11.610  -4.132  -2.729  1.00  0.00           H  
ATOM    732  HZ1 LYS A  51       8.988  -3.972  -3.041  1.00  0.00           H  
ATOM    733  HZ2 LYS A  51       9.977  -4.883  -3.980  1.00  0.00           H  
ATOM    734  HZ3 LYS A  51       9.433  -3.336  -4.476  1.00  0.00           H  
ATOM    735  N   LYS A  52      12.945  -6.170  -0.426  1.00  0.00           N  
ATOM    736  CA  LYS A  52      13.722  -6.585  -1.638  1.00  0.00           C  
ATOM    737  C   LYS A  52      13.165  -7.924  -2.227  1.00  0.00           C  
ATOM    738  O   LYS A  52      12.475  -7.800  -3.250  1.00  0.00           O  
ATOM    739  CB  LYS A  52      15.290  -6.473  -1.611  1.00  0.00           C  
ATOM    740  CG  LYS A  52      15.942  -5.732  -0.424  1.00  0.00           C  
ATOM    741  CD  LYS A  52      17.478  -5.763  -0.344  1.00  0.00           C  
ATOM    742  CE  LYS A  52      18.087  -4.812   0.701  1.00  0.00           C  
ATOM    743  NZ  LYS A  52      18.086  -3.430   0.201  1.00  0.00           N  
ATOM    744  H   LYS A  52      12.434  -6.832   0.159  1.00  0.00           H  
ATOM    745  HA  LYS A  52      13.435  -5.832  -2.404  1.00  0.00           H  
ATOM    746  HB2 LYS A  52      15.743  -7.485  -1.661  1.00  0.00           H  
ATOM    747  HB3 LYS A  52      15.605  -5.966  -2.555  1.00  0.00           H  
ATOM    748  HG2 LYS A  52      15.619  -4.688  -0.442  1.00  0.00           H  
ATOM    749  HG3 LYS A  52      15.554  -6.127   0.530  1.00  0.00           H  
ATOM    750  HD2 LYS A  52      17.767  -6.786  -0.078  1.00  0.00           H  
ATOM    751  HD3 LYS A  52      17.925  -5.604  -1.339  1.00  0.00           H  
ATOM    752  HE2 LYS A  52      17.477  -4.887   1.621  1.00  0.00           H  
ATOM    753  HE3 LYS A  52      19.130  -5.103   0.973  1.00  0.00           H  
ATOM    754  HZ1 LYS A  52      18.708  -3.346  -0.609  1.00  0.00           H  
ATOM    755  HZ2 LYS A  52      18.470  -2.773   0.873  1.00  0.00           H  
ATOM    756  HZ3 LYS A  52      17.149  -3.097  -0.054  1.00  0.00           H  
ATOM    757  N   PRO A  53      13.401  -9.192  -1.757  1.00  0.00           N  
ATOM    758  CA  PRO A  53      13.172 -10.399  -2.597  1.00  0.00           C  
ATOM    759  C   PRO A  53      11.711 -10.906  -2.727  1.00  0.00           C  
ATOM    760  O   PRO A  53      11.217 -11.059  -3.846  1.00  0.00           O  
ATOM    761  CB  PRO A  53      14.152 -11.454  -2.037  1.00  0.00           C  
ATOM    762  CG  PRO A  53      14.689 -10.921  -0.708  1.00  0.00           C  
ATOM    763  CD  PRO A  53      14.097  -9.522  -0.487  1.00  0.00           C  
ATOM    764  HA  PRO A  53      13.523 -10.188  -3.631  1.00  0.00           H  
ATOM    765  HB2 PRO A  53      13.698 -12.459  -1.911  1.00  0.00           H  
ATOM    766  HB3 PRO A  53      14.990 -11.595  -2.748  1.00  0.00           H  
ATOM    767  HG2 PRO A  53      14.448 -11.612   0.124  1.00  0.00           H  
ATOM    768  HG3 PRO A  53      15.793 -10.876  -0.764  1.00  0.00           H  
ATOM    769  HD2 PRO A  53      13.378  -9.541   0.355  1.00  0.00           H  
ATOM    770  HD3 PRO A  53      14.881  -8.799  -0.205  1.00  0.00           H  
ATOM    771  N   TYR A  54      11.055 -11.245  -1.607  1.00  0.00           N  
ATOM    772  CA  TYR A  54       9.977 -12.260  -1.585  1.00  0.00           C  
ATOM    773  C   TYR A  54       8.619 -11.824  -2.224  1.00  0.00           C  
ATOM    774  O   TYR A  54       8.114 -12.582  -3.057  1.00  0.00           O  
ATOM    775  CB  TYR A  54       9.717 -12.945  -0.198  1.00  0.00           C  
ATOM    776  CG  TYR A  54      10.757 -13.009   0.955  1.00  0.00           C  
ATOM    777  CD1 TYR A  54      11.486 -11.909   1.401  1.00  0.00           C  
ATOM    778  CD2 TYR A  54      10.840 -14.209   1.682  1.00  0.00           C  
ATOM    779  CE1 TYR A  54      12.308 -11.985   2.519  1.00  0.00           C  
ATOM    780  CE2 TYR A  54      11.643 -14.286   2.814  1.00  0.00           C  
ATOM    781  CZ  TYR A  54      12.373 -13.188   3.237  1.00  0.00           C  
ATOM    782  OH  TYR A  54      13.152 -13.263   4.362  1.00  0.00           O  
ATOM    783  H   TYR A  54      11.482 -10.919  -0.738  1.00  0.00           H  
ATOM    784  HA  TYR A  54      10.363 -13.085  -2.216  1.00  0.00           H  
ATOM    785  HB2 TYR A  54       8.790 -12.551   0.259  1.00  0.00           H  
ATOM    786  HB3 TYR A  54       9.406 -13.978  -0.444  1.00  0.00           H  
ATOM    787  HD1 TYR A  54      11.429 -10.952   0.902  1.00  0.00           H  
ATOM    788  HD2 TYR A  54      10.270 -15.070   1.380  1.00  0.00           H  
ATOM    789  HE1 TYR A  54      12.872 -11.120   2.824  1.00  0.00           H  
ATOM    790  HE2 TYR A  54      11.680 -15.216   3.378  1.00  0.00           H  
ATOM    791  HH  TYR A  54      13.539 -12.404   4.542  1.00  0.00           H  
ATOM    792  N   GLU A  55       7.873 -10.753  -1.887  1.00  0.00           N  
ATOM    793  CA  GLU A  55       8.379  -9.449  -1.351  1.00  0.00           C  
ATOM    794  C   GLU A  55       7.277  -8.363  -1.587  1.00  0.00           C  
ATOM    795  O   GLU A  55       6.120  -8.671  -1.889  1.00  0.00           O  
ATOM    796  CB  GLU A  55       8.739  -9.479   0.170  1.00  0.00           C  
ATOM    797  CG  GLU A  55       9.838  -8.469   0.606  1.00  0.00           C  
ATOM    798  CD  GLU A  55      10.300  -8.595   2.064  1.00  0.00           C  
ATOM    799  OE1 GLU A  55       9.456  -8.789   2.968  1.00  0.00           O  
ATOM    800  OE2 GLU A  55      11.522  -8.492   2.313  1.00  0.00           O  
ATOM    801  H   GLU A  55       6.944 -10.792  -2.317  1.00  0.00           H  
ATOM    802  HA  GLU A  55       9.269  -9.183  -1.956  1.00  0.00           H  
ATOM    803  HB2 GLU A  55       7.845  -9.364   0.813  1.00  0.00           H  
ATOM    804  HB3 GLU A  55       9.083 -10.482   0.429  1.00  0.00           H  
ATOM    805  HG2 GLU A  55      10.719  -8.595  -0.046  1.00  0.00           H  
ATOM    806  HG3 GLU A  55       9.513  -7.422   0.444  1.00  0.00           H  
ATOM    807  N   GLU A  56       7.617  -7.081  -1.356  1.00  0.00           N  
ATOM    808  CA  GLU A  56       6.600  -6.042  -1.011  1.00  0.00           C  
ATOM    809  C   GLU A  56       6.299  -5.054  -2.167  1.00  0.00           C  
ATOM    810  O   GLU A  56       7.119  -4.843  -3.062  1.00  0.00           O  
ATOM    811  CB  GLU A  56       7.038  -5.266   0.264  1.00  0.00           C  
ATOM    812  CG  GLU A  56       6.962  -6.060   1.576  1.00  0.00           C  
ATOM    813  CD  GLU A  56       7.778  -5.528   2.759  1.00  0.00           C  
ATOM    814  OE1 GLU A  56       8.344  -4.413   2.707  1.00  0.00           O  
ATOM    815  OE2 GLU A  56       7.849  -6.255   3.771  1.00  0.00           O  
ATOM    816  H   GLU A  56       8.597  -6.983  -1.063  1.00  0.00           H  
ATOM    817  HA  GLU A  56       5.658  -6.549  -0.770  1.00  0.00           H  
ATOM    818  HB2 GLU A  56       8.066  -4.905   0.125  1.00  0.00           H  
ATOM    819  HB3 GLU A  56       6.412  -4.358   0.393  1.00  0.00           H  
ATOM    820  HG2 GLU A  56       5.901  -6.117   1.870  1.00  0.00           H  
ATOM    821  HG3 GLU A  56       7.282  -7.101   1.391  1.00  0.00           H  
ATOM    822  N   VAL A  57       5.128  -4.382  -2.086  1.00  0.00           N  
ATOM    823  CA  VAL A  57       4.873  -3.091  -2.784  1.00  0.00           C  
ATOM    824  C   VAL A  57       5.460  -1.900  -1.930  1.00  0.00           C  
ATOM    825  O   VAL A  57       6.087  -2.063  -0.877  1.00  0.00           O  
ATOM    826  CB  VAL A  57       3.407  -3.040  -3.369  1.00  0.00           C  
ATOM    827  CG1 VAL A  57       2.242  -3.475  -2.451  1.00  0.00           C  
ATOM    828  CG2 VAL A  57       3.042  -1.719  -4.094  1.00  0.00           C  
ATOM    829  H   VAL A  57       4.530  -4.631  -1.288  1.00  0.00           H  
ATOM    830  HA  VAL A  57       5.485  -3.068  -3.708  1.00  0.00           H  
ATOM    831  HB  VAL A  57       3.402  -3.778  -4.195  1.00  0.00           H  
ATOM    832 HG11 VAL A  57       1.306  -2.913  -2.623  1.00  0.00           H  
ATOM    833 HG12 VAL A  57       2.470  -3.388  -1.383  1.00  0.00           H  
ATOM    834 HG13 VAL A  57       2.001  -4.536  -2.600  1.00  0.00           H  
ATOM    835 HG21 VAL A  57       2.824  -0.889  -3.393  1.00  0.00           H  
ATOM    836 HG22 VAL A  57       3.871  -1.367  -4.739  1.00  0.00           H  
ATOM    837 HG23 VAL A  57       2.148  -1.830  -4.731  1.00  0.00           H  
ATOM    838  N   THR A  58       5.394  -0.699  -2.506  1.00  0.00           N  
ATOM    839  CA  THR A  58       6.505   0.285  -2.476  1.00  0.00           C  
ATOM    840  C   THR A  58       6.023   1.657  -1.938  1.00  0.00           C  
ATOM    841  O   THR A  58       4.839   1.932  -1.713  1.00  0.00           O  
ATOM    842  CB  THR A  58       7.134   0.399  -3.928  1.00  0.00           C  
ATOM    843  OG1 THR A  58       6.251   0.017  -4.988  1.00  0.00           O  
ATOM    844  CG2 THR A  58       8.456  -0.362  -4.088  1.00  0.00           C  
ATOM    845  H   THR A  58       4.754  -0.687  -3.310  1.00  0.00           H  
ATOM    846  HA  THR A  58       7.295  -0.042  -1.768  1.00  0.00           H  
ATOM    847  HB  THR A  58       7.402   1.449  -4.144  1.00  0.00           H  
ATOM    848  HG1 THR A  58       6.730   0.169  -5.806  1.00  0.00           H  
ATOM    849 HG21 THR A  58       8.883  -0.224  -5.098  1.00  0.00           H  
ATOM    850 HG22 THR A  58       9.220  -0.004  -3.373  1.00  0.00           H  
ATOM    851 HG23 THR A  58       8.325  -1.447  -3.918  1.00  0.00           H  
ATOM    852  N   CYS A  59       7.016   2.557  -1.855  1.00  0.00           N  
ATOM    853  CA  CYS A  59       6.894   3.976  -2.266  1.00  0.00           C  
ATOM    854  C   CYS A  59       5.838   4.274  -3.384  1.00  0.00           C  
ATOM    855  O   CYS A  59       5.978   3.805  -4.519  1.00  0.00           O  
ATOM    856  CB  CYS A  59       8.304   4.513  -2.691  1.00  0.00           C  
ATOM    857  SG  CYS A  59       9.612   3.249  -2.762  1.00  0.00           S  
ATOM    858  H   CYS A  59       7.934   2.103  -1.923  1.00  0.00           H  
ATOM    859  HA  CYS A  59       6.604   4.504  -1.341  1.00  0.00           H  
ATOM    860  HB2 CYS A  59       8.283   4.997  -3.688  1.00  0.00           H  
ATOM    861  HB3 CYS A  59       8.639   5.322  -2.013  1.00  0.00           H  
ATOM    862  N   CYS A  60       4.787   5.034  -3.031  1.00  0.00           N  
ATOM    863  CA  CYS A  60       3.802   5.554  -4.006  1.00  0.00           C  
ATOM    864  C   CYS A  60       4.399   6.721  -4.841  1.00  0.00           C  
ATOM    865  O   CYS A  60       4.804   7.754  -4.291  1.00  0.00           O  
ATOM    866  CB  CYS A  60       2.551   6.091  -3.265  1.00  0.00           C  
ATOM    867  SG  CYS A  60       1.374   4.828  -2.758  1.00  0.00           S  
ATOM    868  H   CYS A  60       4.817   5.378  -2.066  1.00  0.00           H  
ATOM    869  HA  CYS A  60       3.483   4.722  -4.668  1.00  0.00           H  
ATOM    870  HB2 CYS A  60       2.823   6.701  -2.388  1.00  0.00           H  
ATOM    871  HB3 CYS A  60       1.979   6.773  -3.922  1.00  0.00           H  
ATOM    872  N   SER A  61       4.344   6.587  -6.176  1.00  0.00           N  
ATOM    873  CA  SER A  61       4.422   7.766  -7.084  1.00  0.00           C  
ATOM    874  C   SER A  61       3.138   8.674  -7.146  1.00  0.00           C  
ATOM    875  O   SER A  61       3.174   9.691  -7.840  1.00  0.00           O  
ATOM    876  CB  SER A  61       4.799   7.263  -8.501  1.00  0.00           C  
ATOM    877  OG  SER A  61       5.309   8.332  -9.294  1.00  0.00           O  
ATOM    878  H   SER A  61       3.979   5.683  -6.501  1.00  0.00           H  
ATOM    879  HA  SER A  61       5.263   8.404  -6.746  1.00  0.00           H  
ATOM    880  HB2 SER A  61       5.572   6.470  -8.463  1.00  0.00           H  
ATOM    881  HB3 SER A  61       3.928   6.809  -9.015  1.00  0.00           H  
ATOM    882  HG  SER A  61       4.704   9.067  -9.171  1.00  0.00           H  
ATOM    883  N   THR A  62       2.005   8.304  -6.491  1.00  0.00           N  
ATOM    884  CA  THR A  62       0.665   8.871  -6.805  1.00  0.00           C  
ATOM    885  C   THR A  62      -0.369   8.576  -5.669  1.00  0.00           C  
ATOM    886  O   THR A  62      -0.238   7.655  -4.856  1.00  0.00           O  
ATOM    887  CB  THR A  62       0.174   8.398  -8.221  1.00  0.00           C  
ATOM    888  OG1 THR A  62      -0.943   9.175  -8.640  1.00  0.00           O  
ATOM    889  CG2 THR A  62      -0.199   6.908  -8.331  1.00  0.00           C  
ATOM    890  H   THR A  62       2.123   7.536  -5.821  1.00  0.00           H  
ATOM    891  HA  THR A  62       0.792   9.972  -6.852  1.00  0.00           H  
ATOM    892  HB  THR A  62       0.973   8.591  -8.959  1.00  0.00           H  
ATOM    893  HG1 THR A  62      -1.152   8.877  -9.528  1.00  0.00           H  
ATOM    894 HG21 THR A  62       0.644   6.246  -8.046  1.00  0.00           H  
ATOM    895 HG22 THR A  62      -1.066   6.663  -7.685  1.00  0.00           H  
ATOM    896 HG23 THR A  62      -0.480   6.639  -9.364  1.00  0.00           H  
ATOM    897  N   ASP A  63      -1.455   9.362  -5.726  1.00  0.00           N  
ATOM    898  CA  ASP A  63      -2.718   9.209  -4.957  1.00  0.00           C  
ATOM    899  C   ASP A  63      -3.267   7.735  -4.895  1.00  0.00           C  
ATOM    900  O   ASP A  63      -3.717   7.185  -5.899  1.00  0.00           O  
ATOM    901  CB  ASP A  63      -3.777  10.145  -5.630  1.00  0.00           C  
ATOM    902  CG  ASP A  63      -3.406  11.596  -6.014  1.00  0.00           C  
ATOM    903  OD1 ASP A  63      -3.413  12.480  -5.136  1.00  0.00           O  
ATOM    904  OD2 ASP A  63      -3.110  11.849  -7.202  1.00  0.00           O  
ATOM    905  H   ASP A  63      -1.344  10.145  -6.380  1.00  0.00           H  
ATOM    906  HA  ASP A  63      -2.535   9.592  -3.931  1.00  0.00           H  
ATOM    907  HB2 ASP A  63      -4.165   9.664  -6.548  1.00  0.00           H  
ATOM    908  HB3 ASP A  63      -4.649  10.209  -4.965  1.00  0.00           H  
ATOM    909  N   LYS A  64      -3.150   7.109  -3.705  1.00  0.00           N  
ATOM    910  CA  LYS A  64      -3.285   5.630  -3.494  1.00  0.00           C  
ATOM    911  C   LYS A  64      -2.047   4.805  -3.950  1.00  0.00           C  
ATOM    912  O   LYS A  64      -1.430   4.155  -3.101  1.00  0.00           O  
ATOM    913  CB  LYS A  64      -4.643   4.903  -3.813  1.00  0.00           C  
ATOM    914  CG  LYS A  64      -5.235   4.132  -2.600  1.00  0.00           C  
ATOM    915  CD  LYS A  64      -6.467   3.250  -2.903  1.00  0.00           C  
ATOM    916  CE  LYS A  64      -7.541   3.223  -1.797  1.00  0.00           C  
ATOM    917  NZ  LYS A  64      -8.551   2.180  -2.069  1.00  0.00           N  
ATOM    918  H   LYS A  64      -2.704   7.688  -2.989  1.00  0.00           H  
ATOM    919  HA  LYS A  64      -3.217   5.607  -2.391  1.00  0.00           H  
ATOM    920  HB2 LYS A  64      -5.411   5.597  -4.197  1.00  0.00           H  
ATOM    921  HB3 LYS A  64      -4.515   4.192  -4.653  1.00  0.00           H  
ATOM    922  HG2 LYS A  64      -4.458   3.497  -2.133  1.00  0.00           H  
ATOM    923  HG3 LYS A  64      -5.486   4.862  -1.817  1.00  0.00           H  
ATOM    924  HD2 LYS A  64      -6.936   3.547  -3.860  1.00  0.00           H  
ATOM    925  HD3 LYS A  64      -6.105   2.218  -3.059  1.00  0.00           H  
ATOM    926  HE2 LYS A  64      -7.087   3.028  -0.810  1.00  0.00           H  
ATOM    927  HE3 LYS A  64      -8.042   4.208  -1.715  1.00  0.00           H  
ATOM    928  HZ1 LYS A  64      -8.855   2.168  -3.048  1.00  0.00           H  
ATOM    929  HZ2 LYS A  64      -9.394   2.308  -1.495  1.00  0.00           H  
ATOM    930  HZ3 LYS A  64      -8.189   1.240  -1.869  1.00  0.00           H  
ATOM    931  N   CYS A  65      -1.733   4.774  -5.263  1.00  0.00           N  
ATOM    932  CA  CYS A  65      -0.818   3.793  -5.923  1.00  0.00           C  
ATOM    933  C   CYS A  65      -1.359   2.332  -5.951  1.00  0.00           C  
ATOM    934  O   CYS A  65      -1.864   1.878  -6.982  1.00  0.00           O  
ATOM    935  CB  CYS A  65       0.703   3.961  -5.676  1.00  0.00           C  
ATOM    936  SG  CYS A  65       1.326   3.348  -4.096  1.00  0.00           S  
ATOM    937  H   CYS A  65      -2.267   5.447  -5.828  1.00  0.00           H  
ATOM    938  HA  CYS A  65      -0.889   4.127  -6.977  1.00  0.00           H  
ATOM    939  HB2 CYS A  65       1.243   3.400  -6.462  1.00  0.00           H  
ATOM    940  HB3 CYS A  65       1.023   5.010  -5.808  1.00  0.00           H  
ATOM    941  N   ASN A  66      -1.322   1.623  -4.813  1.00  0.00           N  
ATOM    942  CA  ASN A  66      -2.359   0.636  -4.405  1.00  0.00           C  
ATOM    943  C   ASN A  66      -2.123  -0.849  -4.839  1.00  0.00           C  
ATOM    944  O   ASN A  66      -1.364  -1.063  -5.795  1.00  0.00           O  
ATOM    945  CB  ASN A  66      -3.811   1.210  -4.278  1.00  0.00           C  
ATOM    946  CG  ASN A  66      -4.789   1.216  -5.465  1.00  0.00           C  
ATOM    947  OD1 ASN A  66      -4.544   1.855  -6.488  1.00  0.00           O  
ATOM    948  ND2 ASN A  66      -5.965   0.609  -5.320  1.00  0.00           N  
ATOM    949  H   ASN A  66      -0.657   1.984  -4.118  1.00  0.00           H  
ATOM    950  HA  ASN A  66      -2.103   0.572  -3.340  1.00  0.00           H  
ATOM    951  HB2 ASN A  66      -4.298   0.750  -3.400  1.00  0.00           H  
ATOM    952  HB3 ASN A  66      -3.712   2.255  -3.947  1.00  0.00           H  
ATOM    953 HD21 ASN A  66      -6.136   0.101  -4.446  1.00  0.00           H  
ATOM    954 HD22 ASN A  66      -6.568   0.569  -6.151  1.00  0.00           H  
ATOM    955  N   PRO A  67      -2.654  -1.905  -4.131  1.00  0.00           N  
ATOM    956  CA  PRO A  67      -2.017  -3.249  -4.115  1.00  0.00           C  
ATOM    957  C   PRO A  67      -2.284  -4.176  -5.354  1.00  0.00           C  
ATOM    958  O   PRO A  67      -1.436  -4.087  -6.236  1.00  0.00           O  
ATOM    959  CB  PRO A  67      -2.271  -3.670  -2.666  1.00  0.00           C  
ATOM    960  CG  PRO A  67      -3.618  -3.076  -2.276  1.00  0.00           C  
ATOM    961  CD  PRO A  67      -3.572  -1.729  -2.976  1.00  0.00           C  
ATOM    962  HA  PRO A  67      -0.914  -3.119  -4.139  1.00  0.00           H  
ATOM    963  HB2 PRO A  67      -2.185  -4.740  -2.509  1.00  0.00           H  
ATOM    964  HB3 PRO A  67      -1.482  -3.231  -2.024  1.00  0.00           H  
ATOM    965  HG2 PRO A  67      -4.443  -3.693  -2.664  1.00  0.00           H  
ATOM    966  HG3 PRO A  67      -3.769  -2.968  -1.183  1.00  0.00           H  
ATOM    967  HD2 PRO A  67      -4.585  -1.416  -3.296  1.00  0.00           H  
ATOM    968  HD3 PRO A  67      -3.211  -0.961  -2.264  1.00  0.00           H  
ATOM    969  N   HIS A  68      -3.251  -5.065  -5.692  1.00  0.00           N  
ATOM    970  CA  HIS A  68      -4.418  -5.600  -4.932  1.00  0.00           C  
ATOM    971  C   HIS A  68      -5.718  -4.762  -4.633  1.00  0.00           C  
ATOM    972  O   HIS A  68      -6.410  -5.080  -3.655  1.00  0.00           O  
ATOM    973  CB  HIS A  68      -4.050  -6.679  -3.870  1.00  0.00           C  
ATOM    974  CG  HIS A  68      -3.393  -7.995  -4.312  1.00  0.00           C  
ATOM    975  ND1 HIS A  68      -2.122  -8.073  -4.865  1.00  0.00           N  
ATOM    976  CD2 HIS A  68      -3.836  -9.289  -3.957  1.00  0.00           C  
ATOM    977  CE1 HIS A  68      -1.908  -9.422  -4.799  1.00  0.00           C  
ATOM    978  NE2 HIS A  68      -2.885 -10.236  -4.299  1.00  0.00           N  
ATOM    979  H   HIS A  68      -3.032  -5.509  -6.592  1.00  0.00           H  
ATOM    980  HA  HIS A  68      -4.848  -6.248  -5.714  1.00  0.00           H  
ATOM    981  HB2 HIS A  68      -3.371  -6.206  -3.168  1.00  0.00           H  
ATOM    982  HB3 HIS A  68      -4.934  -6.939  -3.254  1.00  0.00           H  
ATOM    983  HD1 HIS A  68      -1.456  -7.319  -5.065  1.00  0.00           H  
ATOM    984  HD2 HIS A  68      -4.724  -9.504  -3.376  1.00  0.00           H  
ATOM    985  HE1 HIS A  68      -0.965  -9.840  -5.117  1.00  0.00           H  
ATOM    986  HE2 HIS A  68      -2.884 -11.254  -4.173  1.00  0.00           H  
ATOM    987  N   PRO A  69      -6.267  -3.892  -5.522  1.00  0.00           N  
ATOM    988  CA  PRO A  69      -7.655  -4.057  -6.028  1.00  0.00           C  
ATOM    989  C   PRO A  69      -7.723  -5.275  -7.031  1.00  0.00           C  
ATOM    990  O   PRO A  69      -8.270  -6.303  -6.626  1.00  0.00           O  
ATOM    991  CB  PRO A  69      -7.939  -2.659  -6.607  1.00  0.00           C  
ATOM    992  CG  PRO A  69      -6.583  -2.172  -7.128  1.00  0.00           C  
ATOM    993  CD  PRO A  69      -5.526  -2.836  -6.233  1.00  0.00           C  
ATOM    994  HA  PRO A  69      -8.367  -4.238  -5.200  1.00  0.00           H  
ATOM    995  HB2 PRO A  69      -8.721  -2.657  -7.392  1.00  0.00           H  
ATOM    996  HB3 PRO A  69      -8.298  -1.981  -5.812  1.00  0.00           H  
ATOM    997  HG2 PRO A  69      -6.442  -2.497  -8.172  1.00  0.00           H  
ATOM    998  HG3 PRO A  69      -6.511  -1.077  -7.165  1.00  0.00           H  
ATOM    999  HD2 PRO A  69      -4.696  -3.219  -6.847  1.00  0.00           H  
ATOM   1000  HD3 PRO A  69      -5.112  -2.112  -5.506  1.00  0.00           H  
ATOM   1001  N   LYS A  70      -7.096  -5.141  -8.234  1.00  0.00           N  
ATOM   1002  CA  LYS A  70      -6.466  -6.243  -9.028  1.00  0.00           C  
ATOM   1003  C   LYS A  70      -7.422  -7.410  -9.393  1.00  0.00           C  
ATOM   1004  O   LYS A  70      -7.919  -8.129  -8.522  1.00  0.00           O  
ATOM   1005  CB  LYS A  70      -5.111  -6.716  -8.408  1.00  0.00           C  
ATOM   1006  CG  LYS A  70      -4.078  -7.417  -9.336  1.00  0.00           C  
ATOM   1007  CD  LYS A  70      -4.415  -8.827  -9.906  1.00  0.00           C  
ATOM   1008  CE  LYS A  70      -4.853  -9.943  -8.914  1.00  0.00           C  
ATOM   1009  NZ  LYS A  70      -4.073 -10.014  -7.678  1.00  0.00           N  
ATOM   1010  H   LYS A  70      -6.687  -4.196  -8.318  1.00  0.00           H  
ATOM   1011  HA  LYS A  70      -6.200  -5.717  -9.974  1.00  0.00           H  
ATOM   1012  HB2 LYS A  70      -4.608  -5.802  -8.034  1.00  0.00           H  
ATOM   1013  HB3 LYS A  70      -5.255  -7.350  -7.509  1.00  0.00           H  
ATOM   1014  HG2 LYS A  70      -3.834  -6.731 -10.183  1.00  0.00           H  
ATOM   1015  HG3 LYS A  70      -3.120  -7.501  -8.783  1.00  0.00           H  
ATOM   1016  HD2 LYS A  70      -5.201  -8.727 -10.670  1.00  0.00           H  
ATOM   1017  HD3 LYS A  70      -3.584  -9.148 -10.563  1.00  0.00           H  
ATOM   1018  HE2 LYS A  70      -5.923  -9.824  -8.654  1.00  0.00           H  
ATOM   1019  HE3 LYS A  70      -4.829 -10.939  -9.398  1.00  0.00           H  
ATOM   1020  HZ1 LYS A  70      -4.131  -9.093  -7.211  1.00  0.00           H  
ATOM   1021  HZ2 LYS A  70      -4.466 -10.765  -7.082  1.00  0.00           H  
ATOM   1022  HZ3 LYS A  70      -3.077 -10.217  -7.874  1.00  0.00           H  
ATOM   1023  N   GLN A  71      -7.640  -7.603 -10.696  1.00  0.00           N  
ATOM   1024  CA  GLN A  71      -8.739  -8.439 -11.235  1.00  0.00           C  
ATOM   1025  C   GLN A  71      -8.189  -9.505 -12.235  1.00  0.00           C  
ATOM   1026  O   GLN A  71      -7.769 -10.582 -11.811  1.00  0.00           O  
ATOM   1027  CB  GLN A  71      -9.926  -7.528 -11.680  1.00  0.00           C  
ATOM   1028  CG  GLN A  71      -9.721  -6.418 -12.755  1.00  0.00           C  
ATOM   1029  CD  GLN A  71      -8.961  -5.156 -12.305  1.00  0.00           C  
ATOM   1030  OE1 GLN A  71      -9.469  -4.351 -11.525  1.00  0.00           O  
ATOM   1031  NE2 GLN A  71      -7.735  -4.946 -12.758  1.00  0.00           N  
ATOM   1032  H   GLN A  71      -7.186  -6.896 -11.289  1.00  0.00           H  
ATOM   1033  HA  GLN A  71      -9.180  -9.051 -10.426  1.00  0.00           H  
ATOM   1034  HB2 GLN A  71     -10.745  -8.192 -12.027  1.00  0.00           H  
ATOM   1035  HB3 GLN A  71     -10.351  -7.044 -10.784  1.00  0.00           H  
ATOM   1036  HG2 GLN A  71      -9.282  -6.833 -13.681  1.00  0.00           H  
ATOM   1037  HG3 GLN A  71     -10.723  -6.081 -13.073  1.00  0.00           H  
ATOM   1038 HE21 GLN A  71      -7.349  -5.630 -13.415  1.00  0.00           H  
ATOM   1039 HE22 GLN A  71      -7.267  -4.114 -12.384  1.00  0.00           H  
ATOM   1040  N   ARG A  72      -8.209  -9.191 -13.545  1.00  0.00           N  
ATOM   1041  CA  ARG A  72      -7.930 -10.127 -14.669  1.00  0.00           C  
ATOM   1042  C   ARG A  72      -7.454  -9.293 -15.923  1.00  0.00           C  
ATOM   1043  O   ARG A  72      -7.761  -8.092 -16.017  1.00  0.00           O  
ATOM   1044  CB  ARG A  72      -9.232 -10.891 -15.085  1.00  0.00           C  
ATOM   1045  CG  ARG A  72      -9.826 -11.957 -14.124  1.00  0.00           C  
ATOM   1046  CD  ARG A  72     -11.155 -11.621 -13.392  1.00  0.00           C  
ATOM   1047  NE  ARG A  72     -12.266 -11.067 -14.217  1.00  0.00           N  
ATOM   1048  CZ  ARG A  72     -12.900 -11.705 -15.226  1.00  0.00           C  
ATOM   1049  NH1 ARG A  72     -12.666 -12.964 -15.584  1.00  0.00           N  
ATOM   1050  NH2 ARG A  72     -13.809 -11.033 -15.910  1.00  0.00           N  
ATOM   1051  H   ARG A  72      -8.540  -8.243 -13.737  1.00  0.00           H  
ATOM   1052  HA  ARG A  72      -7.140 -10.843 -14.372  1.00  0.00           H  
ATOM   1053  HB2 ARG A  72     -10.005 -10.161 -15.390  1.00  0.00           H  
ATOM   1054  HB3 ARG A  72      -9.012 -11.426 -16.030  1.00  0.00           H  
ATOM   1055  HG2 ARG A  72      -9.989 -12.890 -14.697  1.00  0.00           H  
ATOM   1056  HG3 ARG A  72      -9.067 -12.252 -13.378  1.00  0.00           H  
ATOM   1057  HD2 ARG A  72     -11.520 -12.534 -12.882  1.00  0.00           H  
ATOM   1058  HD3 ARG A  72     -10.936 -10.896 -12.587  1.00  0.00           H  
ATOM   1059  HE  ARG A  72     -12.593 -10.106 -14.066  1.00  0.00           H  
ATOM   1060 HH11 ARG A  72     -11.967 -13.476 -15.036  1.00  0.00           H  
ATOM   1061 HH12 ARG A  72     -13.192 -13.311 -16.397  1.00  0.00           H  
ATOM   1062 HH21 ARG A  72     -13.967 -10.057 -15.627  1.00  0.00           H  
ATOM   1063 HH22 ARG A  72     -14.268 -11.536 -16.674  1.00  0.00           H  
ATOM   1064  N   PRO A  73      -6.818  -9.892 -16.985  1.00  0.00           N  
ATOM   1065  CA  PRO A  73      -6.836  -9.307 -18.359  1.00  0.00           C  
ATOM   1066  C   PRO A  73      -8.288  -9.294 -18.958  1.00  0.00           C  
ATOM   1067  O   PRO A  73      -8.897 -10.360 -19.122  1.00  0.00           O  
ATOM   1068  CB  PRO A  73      -5.864 -10.242 -19.117  1.00  0.00           C  
ATOM   1069  CG  PRO A  73      -5.975 -11.598 -18.412  1.00  0.00           C  
ATOM   1070  CD  PRO A  73      -6.205 -11.235 -16.940  1.00  0.00           C  
ATOM   1071  HA  PRO A  73      -6.401  -8.290 -18.351  1.00  0.00           H  
ATOM   1072  HB2 PRO A  73      -6.066 -10.302 -20.205  1.00  0.00           H  
ATOM   1073  HB3 PRO A  73      -4.827  -9.865 -19.022  1.00  0.00           H  
ATOM   1074  HG2 PRO A  73      -6.836 -12.170 -18.808  1.00  0.00           H  
ATOM   1075  HG3 PRO A  73      -5.081 -12.228 -18.561  1.00  0.00           H  
ATOM   1076  HD2 PRO A  73      -6.831 -11.997 -16.440  1.00  0.00           H  
ATOM   1077  HD3 PRO A  73      -5.240 -11.194 -16.398  1.00  0.00           H  
ATOM   1078  N   GLY A  74      -8.849  -8.088 -19.197  1.00  0.00           N  
ATOM   1079  CA  GLY A  74     -10.304  -7.929 -19.444  1.00  0.00           C  
ATOM   1080  C   GLY A  74     -10.625  -6.986 -20.605  1.00  0.00           C  
ATOM   1081  O   GLY A  74     -10.399  -7.368 -21.776  1.00  0.00           O  
ATOM   1082  OXT GLY A  74     -11.145  -5.874 -20.355  1.00  0.00           O  
ATOM   1083  H   GLY A  74      -8.229  -7.287 -19.030  1.00  0.00           H  
ATOM   1084  HA2 GLY A  74     -10.803  -8.896 -19.637  1.00  0.00           H  
ATOM   1085  HA3 GLY A  74     -10.771  -7.541 -18.521  1.00  0.00           H  
TER    1086      GLY A  74                                                      
CONECT   43  311                                                                
CONECT  218  639                                                                
CONECT  311   43                                                                
CONECT  429  481                                                                
CONECT  481  429                                                                
CONECT  639  218                                                                
CONECT  683  857                                                                
CONECT  857  683                                                                
CONECT  867  936                                                                
CONECT  936  867                                                                
MASTER      203    0    0    0    0    0    0    6  551    1   10    6          
END